5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide

C17H21N5O — CID 97389053

IUPAC5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1n[nH]c2c1CN(CC1CC1)C2
InChIInChI=1S/C17H21N5O/c1-21(9-13-4-2-3-7-18-13)17(23)16-14-10-22(8-12-5-6-12)11-15(14)19-20-16/h2-4,7,12H,5-6,8-11H2,1H3,(H,19,20)
InChIKeyFAXFXXRCWCVPDL-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.80
Rot. Bonds5

About 5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide

5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 97389053) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID97389053
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCN(Cc1ccccn1)C(=O)c1n[nH]c2c1CN(CC1CC1)C2
InChIInChI=1S/C17H21N5O/c1-21(9-13-4-2-3-7-18-13)17(23)16-14-10-22(8-12-5-6-12)11-15(14)19-20-16/h2-4,7,12H,5-6,8-11H2,1H3,(H,19,20)
InChIKeyFAXFXXRCWCVPDL-UHFFFAOYSA-N
XLogP1.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-2-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 97408304
N-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 121229497
5-(furan-2-ylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97461886
N,5-dimethyl-N-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 171694648
4-amino-N-methyl-5-propyl-N-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62076095
N-methyl-6-[(2S)-1-methylpyrrolidine-2-carbonyl]-N-(2-pyridin-2-ylethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 166615358
1-(cyclopropylmethyl)-N-methyl-4-[2-(2-methylpyrazol-3-yl)pyrimidin-5-yl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 97443238
N-methyl-2-piperidin-3-yl-N-(pyridin-2-ylmethyl)acetamide
CID 55105100
4-bromo-1-cyclopropyl-N-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 43641731
4-amino-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 43564701
N,N-dimethyl-5-[[(4R)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 97285403
N,5-dimethyl-N-(quinoxalin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (CID 97389053) is 5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is CN(Cc1ccccn1)C(=O)c1n[nH]c2c1CN(CC1CC1)C2.
What is the InChIKey of 5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is FAXFXXRCWCVPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21(9-13-4-2-3-7-18-13)17(23)16-14-10-22(8-12-5-6-12)11-15(14)19-20-16/h2-4,7,12H,5-6,8-11H2,1H3,(H,19,20).
What are the key properties of 5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N-methyl-N-(pyridin-2-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 97389053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).