1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide

C16H21N7O — CID 137186578

IUPAC1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide
SMILESCCc1nn(C)c2n[nH]c(NC(=O)c3ccn(C4CCCC4)n3)c12
InChIInChI=1S/C16H21N7O/c1-3-11-13-14(18-19-15(13)22(2)20-11)17-16(24)12-8-9-23(21-12)10-6-4-5-7-10/h8-10H,3-7H2,1-2H3,(H2,17,18,19,24)
InChIKeyMIODKJVQKQDFGA-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.42
Rot. Bonds4

About 1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide

1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide (PubChem CID 137186578) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide
PubChem CID137186578
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide
SMILESCCc1nn(C)c2n[nH]c(NC(=O)c3ccn(C4CCCC4)n3)c12
InChIInChI=1S/C16H21N7O/c1-3-11-13-14(18-19-15(13)22(2)20-11)17-16(24)12-8-9-23(21-12)10-6-4-5-7-10/h8-10H,3-7H2,1-2H3,(H2,17,18,19,24)
InChIKeyMIODKJVQKQDFGA-UHFFFAOYSA-N
XLogP2.42
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide (CID 137186578) is 1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide is CCc1nn(C)c2n[nH]c(NC(=O)c3ccn(C4CCCC4)n3)c12.
What is the InChIKey of 1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide?
The InChIKey is MIODKJVQKQDFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-3-11-13-14(18-19-15(13)22(2)20-11)17-16(24)12-8-9-23(21-12)10-6-4-5-7-10/h8-10H,3-7H2,1-2H3,(H2,17,18,19,24).
What are the key properties of 1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide?
1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 137186578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).