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

C15H21N7O2 — CID 70765027

IUPAC2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1ccnc(NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)n1
InChIInChI=1S/C15H21N7O2/c1-20(2)15(23)21-6-7-22-12(10-21)8-11(19-22)9-17-14-16-5-4-13(18-14)24-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17,18)
InChIKeyCQRRILJEUVRBRP-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.79
Rot. Bonds4

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

2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 70765027) has the molecular formula C15H21N7O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID70765027
Molecular FormulaC15H21N7O2
Molecular Weight331.38 g/mol
Exact Mass331.18
IUPAC Name2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCOc1ccnc(NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)n1
InChIInChI=1S/C15H21N7O2/c1-20(2)15(23)21-6-7-22-12(10-21)8-11(19-22)9-17-14-16-5-4-13(18-14)24-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17,18)
InChIKeyCQRRILJEUVRBRP-UHFFFAOYSA-N
XLogP0.79
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 70764268
2-[[(4-tert-butylbenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72919346
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]quinoline-6-carboxamide
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2-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72864338
2-[(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70778248
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70782089
N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
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N,N-dimethyl-2-[(3-methylsulfanylpropanoylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
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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-(methylamino)-2-phenylacetyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70726819
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 70765027) is 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is COc1ccnc(NCc2cc3n(n2)CCN(C(=O)N(C)C)C3)n1.
What is the InChIKey of 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is CQRRILJEUVRBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2/c1-20(2)15(23)21-6-7-22-12(10-21)8-11(19-22)9-17-14-16-5-4-13(18-14)24-3/h4-5,8H,6-7,9-10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 70765027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).