cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid

C20H24FN3O3 — CID 171096854

IUPACcis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)c1ccc([C@@H](NC(=O)[C@@H]2CCC[C@@H]2C(=O)O)c2ccn[nH]2)cc1F
InChIInChI=1S/C20H24FN3O3/c1-11(2)13-7-6-12(10-16(13)21)18(17-8-9-22-24-17)23-19(25)14-4-3-5-15(14)20(26)27/h6-11,14-15,18H,3-5H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/t14-,15+,18-/m1/s1
InChIKeyGHDPGFAZUYCRBI-RVKKMQEKSA-N
MW373.43 g/mol
LogP3.38
Rot. Bonds6

About cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 171096854) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID171096854
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Namecis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)c1ccc([C@@H](NC(=O)[C@@H]2CCC[C@@H]2C(=O)O)c2ccn[nH]2)cc1F
InChIInChI=1S/C20H24FN3O3/c1-11(2)13-7-6-12(10-16(13)21)18(17-8-9-22-24-17)23-19(25)14-4-3-5-15(14)20(26)27/h6-11,14-15,18H,3-5H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/t14-,15+,18-/m1/s1
InChIKeyGHDPGFAZUYCRBI-RVKKMQEKSA-N
XLogP3.38
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 165138937
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CID 171096908
CID 171096908
CID 174264090
CID 174264090
CID 174303895
CID 174303895
CID 110203774
CID 110203774
CID 95807183
CID 95807183
CID 95807309
CID 95807309
CID 170519166
CID 170519166
CID 172618618
CID 172618618
CID 176008813
CID 176008813
CID 176019262
CID 176019262

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 171096854) is cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid is CC(C)c1ccc([C@@H](NC(=O)[C@@H]2CCC[C@@H]2C(=O)O)c2ccn[nH]2)cc1F.
What is the InChIKey of cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is GHDPGFAZUYCRBI-RVKKMQEKSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-11(2)13-7-6-12(10-16(13)21)18(17-8-9-22-24-17)23-19(25)14-4-3-5-15(14)20(26)27/h6-11,14-15,18H,3-5H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)/t14-,15+,18-/m1/s1.
What are the key properties of cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 373.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[(R)-(3-fluoro-4-propan-2-ylphenyl)-(1H-pyrazol-5-yl)methyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 171096854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).