N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide

C18H22FN3O — CID 124726107

IUPACN-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H22FN3O/c1-22-12-13(11-20-22)2-9-18(23)21-17-8-5-15(10-17)14-3-6-16(19)7-4-14/h3-4,6-7,11-12,15,17H,2,5,8-10H2,1H3,(H,21,23)/t15-,17+/m1/s1
InChIKeyBQEIAVOEYHZTII-WBVHZDCISA-N
MW315.39 g/mol
LogP2.94
Rot. Bonds5

About N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide

N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 124726107) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID124726107
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCn1cc(CCC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C18H22FN3O/c1-22-12-13(11-20-22)2-9-18(23)21-17-8-5-15(10-17)14-3-6-16(19)7-4-14/h3-4,6-7,11-12,15,17H,2,5,8-10H2,1H3,(H,21,23)/t15-,17+/m1/s1
InChIKeyBQEIAVOEYHZTII-WBVHZDCISA-N
XLogP2.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 94612179
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343
N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80688588
N-(2-amino-4-fluorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 126583805
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
N-(5-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 71976301
N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 95964717
N-[3-(4-fluorophenyl)cyclopentyl]-2-oxo-2-[4-(pyridin-3-ylmethyl)piperidin-1-yl]acetamide
CID 154861020
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111110946
N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345714

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide (CID 124726107) is N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide is Cn1cc(CCC(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)cn1.
What is the InChIKey of N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is BQEIAVOEYHZTII-WBVHZDCISA-N. The full InChI is InChI=1S/C18H22FN3O/c1-22-12-13(11-20-22)2-9-18(23)21-17-8-5-15(10-17)14-3-6-16(19)7-4-14/h3-4,6-7,11-12,15,17H,2,5,8-10H2,1H3,(H,21,23)/t15-,17+/m1/s1.
What are the key properties of N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 315.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(4-fluorophenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 124726107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).