3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide

C18H23N3O2 — CID 96531761

IUPAC3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
SMILESCn1cc(CCC(=O)N[C@H]2CCC[C@H]2Oc2ccccc2)cn1
InChIInChI=1S/C18H23N3O2/c1-21-13-14(12-19-21)10-11-18(22)20-16-8-5-9-17(16)23-15-6-3-2-4-7-15/h2-4,6-7,12-13,16-17H,5,8-11H2,1H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyDOTQLHTVWKZESX-DLBZAZTESA-N
MW313.40 g/mol
LogP2.47
Rot. Bonds6

About 3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide

3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide (PubChem CID 96531761) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
PubChem CID96531761
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
SMILESCn1cc(CCC(=O)N[C@H]2CCC[C@H]2Oc2ccccc2)cn1
InChIInChI=1S/C18H23N3O2/c1-21-13-14(12-19-21)10-11-18(22)20-16-8-5-9-17(16)23-15-6-3-2-4-7-15/h2-4,6-7,12-13,16-17H,5,8-11H2,1H3,(H,20,22)/t16-,17+/m0/s1
InChIKeyDOTQLHTVWKZESX-DLBZAZTESA-N
XLogP2.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-nitropyrazol-1-yl)-N-(2-phenoxycyclopentyl)propanamide
CID 71876400
3-(4-nitropyrazol-1-yl)-N-[(1R,2R)-2-phenoxycyclopentyl]propanamide
CID 97082768
N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 95964717
N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 94609346
N-[4-oxo-4-[[(1S,2R)-2-phenoxycyclopentyl]amino]butyl]cyclopropanecarboxamide
CID 97082762
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 154901298
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395
N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)-N-phenylpropanamide
CID 71859338
N-[4-oxo-4-[[(1S,2S)-2-phenoxycyclohexyl]amino]butyl]cyclopropanecarboxamide
CID 95625915
N-[(1R,2S)-2-phenoxycyclopentyl]furan-2-carboxamide
CID 95624806
N-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298388
N-[(1S,2S)-2-methoxycyclopentyl]-4-phenylbutanamide
CID 96541296

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide (CID 96531761) is 3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide is Cn1cc(CCC(=O)N[C@H]2CCC[C@H]2Oc2ccccc2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide?
The InChIKey is DOTQLHTVWKZESX-DLBZAZTESA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21-13-14(12-19-21)10-11-18(22)20-16-8-5-9-17(16)23-15-6-3-2-4-7-15/h2-4,6-7,12-13,16-17H,5,8-11H2,1H3,(H,20,22)/t16-,17+/m0/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide?
3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide is sourced from PubChem (CID 96531761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).