2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C15H20ClN7O2 — CID 70744255

IUPAC2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNC(=O)Cn3cc(Cl)cn3)cc2C1
InChIInChI=1S/C15H20ClN7O2/c1-20(2)15(25)21-3-4-23-13(9-21)5-12(19-23)7-17-14(24)10-22-8-11(16)6-18-22/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,17,24)
InChIKeyRXFYNIRGIZGDIB-UHFFFAOYSA-N
MW365.83 g/mol
LogP0.55
Rot. Bonds4

About 2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 70744255) has the molecular formula C15H20ClN7O2 and a molecular weight of 365.83 g/mol. Its IUPAC name is 2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID70744255
Molecular FormulaC15H20ClN7O2
Molecular Weight365.83 g/mol
Exact Mass365.14
IUPAC Name2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNC(=O)Cn3cc(Cl)cn3)cc2C1
InChIInChI=1S/C15H20ClN7O2/c1-20(2)15(25)21-3-4-23-13(9-21)5-12(19-23)7-17-14(24)10-22-8-11(16)6-18-22/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,17,24)
InChIKeyRXFYNIRGIZGDIB-UHFFFAOYSA-N
XLogP0.55
TPSA88.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[(3-methylsulfanylpropanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70780461
2-[[(4-chloro-2-fluorobenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72937666
2-[(hex-3-enoylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 91940678
N,N-dimethyl-2-[[(2-methylsulfanylacetyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70740006
2-[[(4-tert-butylbenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72919346
2-(4-chloropyrazol-1-yl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]acetamide
CID 19329071
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 70766230
N,N-dimethyl-2-[(3-pyridin-3-ylpropanoylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70786539
2-[[[(2S)-2-hydroxy-4-methylsulfanylbutanoyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 96574599
N,N-dimethyl-2-[[[2-(methylamino)-2-phenylacetyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70726819
2-[[(4-ethoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70713260
N,N-dimethyl-2-[[[2-(3-methylphenyl)acetyl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70758361

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 70744255) is 2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CN(C)C(=O)N1CCn2nc(CNC(=O)Cn3cc(Cl)cn3)cc2C1.
What is the InChIKey of 2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is RXFYNIRGIZGDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN7O2/c1-20(2)15(25)21-3-4-23-13(9-21)5-12(19-23)7-17-14(24)10-22-8-11(16)6-18-22/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,17,24).
What are the key properties of 2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 365.83 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-chloropyrazol-1-yl)acetyl]amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 70744255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).