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

C17H21N9O — CID 70727961

IUPACN,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNc3nnnn3-c3ccccc3)cc2C1
InChIInChI=1S/C17H21N9O/c1-23(2)17(27)24-8-9-25-15(12-24)10-13(20-25)11-18-16-19-21-22-26(16)14-6-4-3-5-7-14/h3-7,10H,8-9,11-12H2,1-2H3,(H,18,19,22)
InChIKeySETHVJCLTGEQFS-UHFFFAOYSA-N
MW367.42 g/mol
LogP0.97
Rot. Bonds4

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

N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 70727961) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
PubChem CID70727961
Molecular FormulaC17H21N9O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC NameN,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
SMILESCN(C)C(=O)N1CCn2nc(CNc3nnnn3-c3ccccc3)cc2C1
InChIInChI=1S/C17H21N9O/c1-23(2)17(27)24-8-9-25-15(12-24)10-13(20-25)11-18-16-19-21-22-26(16)14-6-4-3-5-7-14/h3-7,10H,8-9,11-12H2,1-2H3,(H,18,19,22)
InChIKeySETHVJCLTGEQFS-UHFFFAOYSA-N
XLogP0.97
TPSA97.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-2-[[[2-(methylamino)-2-phenylacetyl]amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70726819
N,N-dimethyl-2-[(pyrimidin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70729401
2-[[(4-tert-butylbenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 72919346
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
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 70766230
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
N,N-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 70759731
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-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
2-[[[(2R)-2-amino-2-phenylacetyl]amino]methyl]-N,N-dimethyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide;hydrochloride
CID 154896206
N-[[5-(dimethylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]quinoline-6-carboxamide
CID 72888278

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 70727961) is N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is CN(C)C(=O)N1CCn2nc(CNc3nnnn3-c3ccccc3)cc2C1.
What is the InChIKey of N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is SETHVJCLTGEQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N9O/c1-23(2)17(27)24-8-9-25-15(12-24)10-13(20-25)11-18-16-19-21-22-26(16)14-6-4-3-5-7-14/h3-7,10H,8-9,11-12H2,1-2H3,(H,18,19,22).
What are the key properties of N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?
N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(1-phenyltetrazol-5-yl)amino]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 70727961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).