N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide

C23H39N5O — CID 24819489

IUPACN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C23H39N5O/c1-25-22(11-12-24-25)23(29)28(17-16-26-13-5-2-6-14-26)19-20-8-7-15-27(18-20)21-9-3-4-10-21/h11-12,20-21H,2-10,13-19H2,1H3
InChIKeyXXGSUCZXDYOJPX-UHFFFAOYSA-N
MW401.60 g/mol
LogP3.00
Rot. Bonds7

About N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide

N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide (PubChem CID 24819489) has the molecular formula C23H39N5O and a molecular weight of 401.60 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
PubChem CID24819489
Molecular FormulaC23H39N5O
Molecular Weight401.60 g/mol
Exact Mass401.32
IUPAC NameN-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1
InChIInChI=1S/C23H39N5O/c1-25-22(11-12-24-25)23(29)28(17-16-26-13-5-2-6-14-26)19-20-8-7-15-27(18-20)21-9-3-4-10-21/h11-12,20-21H,2-10,13-19H2,1H3
InChIKeyXXGSUCZXDYOJPX-UHFFFAOYSA-N
XLogP3.00
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.60
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide (CID 24819489) is N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide is Cn1nccc1C(=O)N(CCN1CCCCC1)CC1CCCN(C2CCCC2)C1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
The InChIKey is XXGSUCZXDYOJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O/c1-25-22(11-12-24-25)23(29)28(17-16-26-13-5-2-6-14-26)19-20-8-7-15-27(18-20)21-9-3-4-10-21/h11-12,20-21H,2-10,13-19H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide?
N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide has a molecular weight of 401.60 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-3-yl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 24819489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).