cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid

C17H19N3O3 — CID 120678002

IUPACcis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)[nH]n2)cc1
InChIInChI=1S/C17H19N3O3/c1-10-2-4-11(5-3-10)14-9-15(20-19-14)16(21)18-13-7-6-12(8-13)17(22)23/h2-5,9,12-13H,6-8H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t12-,13+/m1/s1
InChIKeyMRPMAXJYBXNSPB-OLZOCXBDSA-N
MW313.36 g/mol
LogP2.37
Rot. Bonds4

About cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 120678002) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID120678002
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namecis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)[nH]n2)cc1
InChIInChI=1S/C17H19N3O3/c1-10-2-4-11(5-3-10)14-9-15(20-19-14)16(21)18-13-7-6-12(8-13)17(22)23/h2-5,9,12-13H,6-8H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t12-,13+/m1/s1
InChIKeyMRPMAXJYBXNSPB-OLZOCXBDSA-N
XLogP2.37
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677069
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
3-(4-bromophenyl)-N-cyclopropyl-1H-pyrazole-5-carboxamide
CID 9247830
3-(4-methylphenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 78870645
cis-(1S,3R)-3-[(6-methyl-1H-indole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677007
N-cycloheptyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514437
(2S)-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]azetidine-2-carboxylic acid
CID 97274526
cis-(1S,3R)-3-[[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120675801
3-(4-fluorophenyl)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 91631956
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 98783386
(2S)-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 94074907
cis-(1R,3S)-3-[[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677392

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 120678002) is cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid is Cc1ccc(-c2cc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)[nH]n2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is MRPMAXJYBXNSPB-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-10-2-4-11(5-3-10)14-9-15(20-19-14)16(21)18-13-7-6-12(8-13)17(22)23/h2-5,9,12-13H,6-8H2,1H3,(H,18,21)(H,19,20)(H,22,23)/t12-,13+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).