ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate

C19H22F2N4O3 — CID 169079582

IUPACethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
SMILESCCOC(=O)N[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cc(F)cc(F)c3)n[nH]2)C1
InChIInChI=1S/C19H22F2N4O3/c1-2-28-19(27)22-15-4-3-12(8-15)16-10-17(25-24-16)23-18(26)7-11-5-13(20)9-14(21)6-11/h5-6,9-10,12,15H,2-4,7-8H2,1H3,(H,22,27)(H2,23,24,25,26)/t12-,15+/m0/s1
InChIKeyJSTQVFLQUHDYPU-SWLSCSKDSA-N
MW392.41 g/mol
LogP3.25
Rot. Bonds6

About ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate

ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (PubChem CID 169079582) has the molecular formula C19H22F2N4O3 and a molecular weight of 392.41 g/mol. Its IUPAC name is ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
PubChem CID169079582
Molecular FormulaC19H22F2N4O3
Molecular Weight392.41 g/mol
Exact Mass392.17
IUPAC Nameethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
SMILESCCOC(=O)N[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cc(F)cc(F)c3)n[nH]2)C1
InChIInChI=1S/C19H22F2N4O3/c1-2-28-19(27)22-15-4-3-12(8-15)16-10-17(25-24-16)23-18(26)7-11-5-13(20)9-14(21)6-11/h5-6,9-10,12,15H,2-4,7-8H2,1H3,(H,22,27)(H2,23,24,25,26)/t12-,15+/m0/s1
InChIKeyJSTQVFLQUHDYPU-SWLSCSKDSA-N
XLogP3.25
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

propyl N-[(1S,3R)-3-[3-[[2-(6-methoxy-3-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079558
propan-2-yl N-[3-[3-[[2-(2-methyl-1,3-thiazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 164518716
propan-2-yl N-[(1S,3R)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079607
propan-2-yl N-[(1R,3S)-3-[3-[[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079594
propyl N-[3-(3-amino-1H-pyrazol-5-yl)cyclopentyl]carbamate
CID 171084129
benzyl N-[5-[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]-1H-pyrazol-3-yl]carbamate
CID 176998560
[(3S,5S)-5-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-propan-2-ylcarbamate
CID 170070922
butan-2-yl N-[3-[3-[[2-(6-methoxypyrazin-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169013946
[(1S,3R)-3-[3-[(2-phenylacetyl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-(4-hydroxy-4-methylcyclohexyl)carbamate
CID 154616531
propan-2-yl N-[(1R,3S)-3-[3-[[2-(1,3-benzothiazol-7-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate
CID 169079578
N-[(1S,3R)-3-[3-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]benzamide
CID 164879657
[(1R,3S)-3-[3-[[2-(1,2-oxazol-5-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-cyclobutylcarbamate
CID 154616412

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The IUPAC name of ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate (CID 169079582) is ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate.
What is the SMILES notation for ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The canonical SMILES for ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is CCOC(=O)N[C@@H]1CC[C@H](c2cc(NC(=O)Cc3cc(F)cc(F)c3)n[nH]2)C1.
What is the InChIKey of ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
The InChIKey is JSTQVFLQUHDYPU-SWLSCSKDSA-N. The full InChI is InChI=1S/C19H22F2N4O3/c1-2-28-19(27)22-15-4-3-12(8-15)16-10-17(25-24-16)23-18(26)7-11-5-13(20)9-14(21)6-11/h5-6,9-10,12,15H,2-4,7-8H2,1H3,(H,22,27)(H2,23,24,25,26)/t12-,15+/m0/s1.
What are the key properties of ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate?
ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate has a molecular weight of 392.41 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1R,3S)-3-[3-[[2-(3,5-difluorophenyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl]carbamate is sourced from PubChem (CID 169079582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).