trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C18H22N4O3 — CID 97012787

IUPACtrans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cn1)NC1CCCC1
InChIInChI=1S/C18H22N4O3/c23-17(20-12-4-1-2-5-12)11-22-10-13(9-19-22)21-18(24)15-8-14(15)16-6-3-7-25-16/h3,6-7,9-10,12,14-15H,1-2,4-5,8,11H2,(H,20,23)(H,21,24)/t14-,15-/m1/s1
InChIKeyMWYKOPPYXLTPJR-HUUCEWRRSA-N
MW342.40 g/mol
LogP2.28
Rot. Bonds6

About trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 97012787) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID97012787
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Nametrans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cn1)NC1CCCC1
InChIInChI=1S/C18H22N4O3/c23-17(20-12-4-1-2-5-12)11-22-10-13(9-19-22)21-18(24)15-8-14(15)16-6-3-7-25-16/h3,6-7,9-10,12,14-15H,1-2,4-5,8,11H2,(H,20,23)(H,21,24)/t14-,15-/m1/s1
InChIKeyMWYKOPPYXLTPJR-HUUCEWRRSA-N
XLogP2.28
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 55035959
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124
9-amino-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988026
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-ethylbutanamide
CID 49054716
3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119728671
2-(furan-2-yl)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopropane-1-carboxamide
CID 71863784
3-bromo-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 49055697
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-4-methoxybenzamide
CID 49055659
4-chloro-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 63307715
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylindole-3-carboxamide
CID 49055281
N-[4-(2,6-dioxopiperidin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851788
N-cyclohexyl-1-[2-(furan-2-yl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 75405699

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 97012787) is trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C(Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccco2)cn1)NC1CCCC1.
What is the InChIKey of trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is MWYKOPPYXLTPJR-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-17(20-12-4-1-2-5-12)11-22-10-13(9-19-22)21-18(24)15-8-14(15)16-6-3-7-25-16/h3,6-7,9-10,12,14-15H,1-2,4-5,8,11H2,(H,20,23)(H,21,24)/t14-,15-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 97012787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).