3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide

C16H20N4O — CID 66008582

IUPAC3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C16H20N4O/c17-14-7-6-13(8-14)16(21)18-9-12-10-19-20(11-12)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,17H2,(H,18,21)
InChIKeyZZUXTZVDXPHWDJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.62
Rot. Bonds4

About 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide

3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 66008582) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
PubChem CID66008582
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)NCc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C16H20N4O/c17-14-7-6-13(8-14)16(21)18-9-12-10-19-20(11-12)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,17H2,(H,18,21)
InChIKeyZZUXTZVDXPHWDJ-UHFFFAOYSA-N
XLogP1.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[(1-benzylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119728085
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
(1S,3R,4R)-4-amino-N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-3-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155938457
(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818179
(3R)-1-benzyl-5-oxo-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 42032570
1-[[(1R,3R)-3-hydroxycyclopentyl]methyl]-3-[(1-phenylpyrazol-4-yl)methyl]urea
CID 99792880
cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 94388476
1-(1,3-benzoxazol-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 17494872
1-(4-methylphenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 17482582
3-(hydroxymethyl)-N-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443610
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide (CID 66008582) is 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)NCc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is ZZUXTZVDXPHWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-14-7-6-13(8-14)16(21)18-9-12-10-19-20(11-12)15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,17H2,(H,18,21).
What are the key properties of 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide?
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 66008582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).