N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide

C19H25N3O2 — CID 71968984

IUPACN-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)cn1
InChIInChI=1S/C19H25N3O2/c1-2-22-14-17(12-20-22)18(23)21(13-16-8-4-3-5-9-16)15-19(24)10-6-7-11-19/h3-5,8-9,12,14,24H,2,6-7,10-11,13,15H2,1H3
InChIKeyDRNFUJAOUYOMIE-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.85
Rot. Bonds6

About N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide

N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide (PubChem CID 71968984) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide
PubChem CID71968984
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)cn1
InChIInChI=1S/C19H25N3O2/c1-2-22-14-17(12-20-22)18(23)21(13-16-8-4-3-5-9-16)15-19(24)10-6-7-11-19/h3-5,8-9,12,14,24H,2,6-7,10-11,13,15H2,1H3
InChIKeyDRNFUJAOUYOMIE-UHFFFAOYSA-N
XLogP2.85
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide (CID 71968984) is N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide is CCn1cc(C(=O)N(Cc2ccccc2)CC2(O)CCCC2)cn1.
What is the InChIKey of N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide?
The InChIKey is DRNFUJAOUYOMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-22-14-17(12-20-22)18(23)21(13-16-8-4-3-5-9-16)15-19(24)10-6-7-11-19/h3-5,8-9,12,14,24H,2,6-7,10-11,13,15H2,1H3.
What are the key properties of N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide?
N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 71968984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).