N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide

C11H16F2N4O — CID 114226132

IUPACN-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide
SMILESNc1cnn(CCNC(=O)C2CCC(F)(F)C2)c1
InChIInChI=1S/C11H16F2N4O/c12-11(13)2-1-8(5-11)10(18)15-3-4-17-7-9(14)6-16-17/h6-8H,1-5,14H2,(H,15,18)
InChIKeyPTQUFMYVNXMREC-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.02
Rot. Bonds4

About N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide

N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 114226132) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide
PubChem CID114226132
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC NameN-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide
SMILESNc1cnn(CCNC(=O)C2CCC(F)(F)C2)c1
InChIInChI=1S/C11H16F2N4O/c12-11(13)2-1-8(5-11)10(18)15-3-4-17-7-9(14)6-16-17/h6-8H,1-5,14H2,(H,15,18)
InChIKeyPTQUFMYVNXMREC-UHFFFAOYSA-N
XLogP1.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
CID 51078639
N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide
CID 51114235
N-[(1-ethylpyrazol-4-yl)methyl]cyclopentanecarboxamide
CID 39854803
N-(1-ethyl-1H-pyrazol-4-yl)piperidine-4-carboxamide dihydrochloride
CID 45792389
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopentylacetamide
CID 28313580
2-acetamido-2-cyclopentyl-N-(1-methylpyrazol-4-yl)acetamide
CID 45817623
4-methyl-N-[2-[methyl-(1-methylpyrazol-4-yl)amino]-2-oxoethyl]pentanamide
CID 71986184
1-acetamido-N-(1-ethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 75416559
2-cyclopentyl-N-methyl-N-(1-methylpyrazol-4-yl)acetamide
CID 86768589
(2S)-N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 121519170
N-methyl-2-[4-[(2,4,4-trimethylcyclopentyl)amino]pyrazol-1-yl]acetamide
CID 121520501
(2R)-6-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide
CID 128255890

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide (CID 114226132) is N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide is Nc1cnn(CCNC(=O)C2CCC(F)(F)C2)c1.
What is the InChIKey of N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is PTQUFMYVNXMREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c12-11(13)2-1-8(5-11)10(18)15-3-4-17-7-9(14)6-16-17/h6-8H,1-5,14H2,(H,15,18).
What are the key properties of N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide?
N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 258.27 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminopyrazol-1-yl)ethyl]-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 114226132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).