3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide

C14H21FN4O2 — CID 167867013

IUPAC3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide
SMILESNCC1(F)CC(C(=O)Nc2ccnn2CC2CCOC2)C1
InChIInChI=1S/C14H21FN4O2/c15-14(9-16)5-11(6-14)13(20)18-12-1-3-17-19(12)7-10-2-4-21-8-10/h1,3,10-11H,2,4-9,16H2,(H,18,20)
InChIKeyORCUNTVJFJSKME-UHFFFAOYSA-N
MW296.35 g/mol
LogP0.94
Rot. Bonds5

About 3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide

3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide (PubChem CID 167867013) has the molecular formula C14H21FN4O2 and a molecular weight of 296.35 g/mol. Its IUPAC name is 3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide
PubChem CID167867013
Molecular FormulaC14H21FN4O2
Molecular Weight296.35 g/mol
Exact Mass296.16
IUPAC Name3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide
SMILESNCC1(F)CC(C(=O)Nc2ccnn2CC2CCOC2)C1
InChIInChI=1S/C14H21FN4O2/c15-14(9-16)5-11(6-14)13(20)18-12-1-3-17-19(12)7-10-2-4-21-8-10/h1,3,10-11H,2,4-9,16H2,(H,18,20)
InChIKeyORCUNTVJFJSKME-UHFFFAOYSA-N
XLogP0.94
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
N-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]acetamide
CID 97209246
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]acetamide
CID 109898693
1-[2-(Oxolan-3-ylmethyl)pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 119053003
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-pyrrolidin-3-ylpropanamide
CID 120076624
1-[2-[[(3R)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 124844927
1-[2-[[(3S)-oxolan-3-yl]methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 124844928
3,3-difluoro-N-[1-(3-methoxypropyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 136539235
3,3,3-trifluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]propanamide
CID 146084965
3-fluoro-3-(hydroxymethyl)-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide
CID 167869270
N-[[3-methoxy-3-(trifluoromethyl)cyclobutyl]methyl]-1-(oxolan-3-ylmethyl)pyrazol-3-amine
CID 167942950
3-methyl-N-{1-[1-(tetrahydro-3-furanylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}butanamide
CID 45221190

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide?
The IUPAC name of 3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide (CID 167867013) is 3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide is NCC1(F)CC(C(=O)Nc2ccnn2CC2CCOC2)C1.
What is the InChIKey of 3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide?
The InChIKey is ORCUNTVJFJSKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O2/c15-14(9-16)5-11(6-14)13(20)18-12-1-3-17-19(12)7-10-2-4-21-8-10/h1,3,10-11H,2,4-9,16H2,(H,18,20).
What are the key properties of 3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide?
3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide has a molecular weight of 296.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-fluoro-N-[2-(oxolan-3-ylmethyl)pyrazol-3-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 167867013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).