N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C14H19N5O — CID 71847289

IUPACN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2n[nH]c3c2CCC3)n[nH]1
InChIInChI=1S/C14H19N5O/c1-8(6-10-7-9(2)16-17-10)15-14(20)13-11-4-3-5-12(11)18-19-13/h7-8H,3-6H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyLRWKRHFSJVCVKG-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.29
Rot. Bonds4

About N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 71847289) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID71847289
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(CC(C)NC(=O)c2n[nH]c3c2CCC3)n[nH]1
InChIInChI=1S/C14H19N5O/c1-8(6-10-7-9(2)16-17-10)15-14(20)13-11-4-3-5-12(11)18-19-13/h7-8H,3-6H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyLRWKRHFSJVCVKG-UHFFFAOYSA-N
XLogP1.29
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Kdm5A-IN-1
CID 119081409
US10022354, Example 152
CID 121279737
N-{(3S)-1-[5-(propan-2-yl)-1H-pyrazole-3-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide
CID 129606887
US10022354, Example 151
CID 132054530
US10022354, Example 123
CID 121279532
US10022354, Example 168
CID 132070206
US10022354, Example 27
CID 121279544
US10022354, Example 231
CID 121279598
US10022354, Example 230
CID 121279605
US10022354, Example 222
CID 121279620
US10022354, Example 194
CID 121279630
US10022354, Example 221
CID 121279641

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 71847289) is N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1cc(CC(C)NC(=O)c2n[nH]c3c2CCC3)n[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LRWKRHFSJVCVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-8(6-10-7-9(2)16-17-10)15-14(20)13-11-4-3-5-12(11)18-19-13/h7-8H,3-6H2,1-2H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 71847289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).