N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C21H32N6O — CID 24794189

IUPACN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c(C)n1
InChIInChI=1S/C21H32N6O/c1-3-26-15-18(16(2)24-26)14-25-12-9-19(10-13-25)27-20(8-11-22-27)23-21(28)17-6-4-5-7-17/h8,11,15,17,19H,3-7,9-10,12-14H2,1-2H3,(H,23,28)
InChIKeyVPBQTYHRMCGGFQ-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.37
Rot. Bonds6

About N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24794189) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24794189
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC NameN-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCCn1cc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c(C)n1
InChIInChI=1S/C21H32N6O/c1-3-26-15-18(16(2)24-26)14-25-12-9-19(10-13-25)27-20(8-11-22-27)23-21(28)17-6-4-5-7-17/h8,11,15,17,19H,3-7,9-10,12-14H2,1-2H3,(H,23,28)
InChIKeyVPBQTYHRMCGGFQ-UHFFFAOYSA-N
XLogP3.37
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24794189) is N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CCn1cc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c(C)n1.
What is the InChIKey of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is VPBQTYHRMCGGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-3-26-15-18(16(2)24-26)14-25-12-9-19(10-13-25)27-20(8-11-22-27)23-21(28)17-6-4-5-7-17/h8,11,15,17,19H,3-7,9-10,12-14H2,1-2H3,(H,23,28).
What are the key properties of N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 384.53 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24794189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).