4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide

C17H29N5O — CID 53499020

IUPAC4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCc1c(C(C)NC(=O)N2CCN(C3CCCC3)CC2)cnn1C
InChIInChI=1S/C17H29N5O/c1-13(16-12-18-20(3)14(16)2)19-17(23)22-10-8-21(9-11-22)15-6-4-5-7-15/h12-13,15H,4-11H2,1-3H3,(H,19,23)
InChIKeyUBKDKUMGKGBXFI-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.06
Rot. Bonds3

About 4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide

4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide (PubChem CID 53499020) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
PubChem CID53499020
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide
SMILESCc1c(C(C)NC(=O)N2CCN(C3CCCC3)CC2)cnn1C
InChIInChI=1S/C17H29N5O/c1-13(16-12-18-20(3)14(16)2)19-17(23)22-10-8-21(9-11-22)15-6-4-5-7-15/h12-13,15H,4-11H2,1-3H3,(H,19,23)
InChIKeyUBKDKUMGKGBXFI-UHFFFAOYSA-N
XLogP2.06
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide (CID 53499020) is 4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide is Cc1c(C(C)NC(=O)N2CCN(C3CCCC3)CC2)cnn1C.
What is the InChIKey of 4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is UBKDKUMGKGBXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13(16-12-18-20(3)14(16)2)19-17(23)22-10-8-21(9-11-22)15-6-4-5-7-15/h12-13,15H,4-11H2,1-3H3,(H,19,23).
What are the key properties of 4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide?
4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 53499020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).