cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid

C17H21N3O2 — CID 138021569

IUPACcis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(-c2[nH]ncc2CN[C@@H]2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C17H21N3O2/c1-11-5-7-12(8-6-11)16-13(10-19-20-16)9-18-15-4-2-3-14(15)17(21)22/h5-8,10,14-15,18H,2-4,9H2,1H3,(H,19,20)(H,21,22)/t14-,15+/m0/s1
InChIKeyHYCWYUSGMRQHAN-LSDHHAIUSA-N
MW299.37 g/mol
LogP2.73
Rot. Bonds5

About cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid (PubChem CID 138021569) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid
PubChem CID138021569
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Namecis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(-c2[nH]ncc2CN[C@@H]2CCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C17H21N3O2/c1-11-5-7-12(8-6-11)16-13(10-19-20-16)9-18-15-4-2-3-14(15)17(21)22/h5-8,10,14-15,18H,2-4,9H2,1H3,(H,19,20)(H,21,22)/t14-,15+/m0/s1
InChIKeyHYCWYUSGMRQHAN-LSDHHAIUSA-N
XLogP2.73
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclohexane-1-carboxylic acid
CID 120509868
[2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359839
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;oxalic acid
CID 17461527
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 86913987
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115671480
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
trans-(1R,2R)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 95363924
3-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 114544063
1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108448
1-methyl-3-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106253521
(6R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95314631

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid (CID 138021569) is cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid is Cc1ccc(-c2[nH]ncc2CN[C@@H]2CCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid?
The InChIKey is HYCWYUSGMRQHAN-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-11-5-7-12(8-6-11)16-13(10-19-20-16)9-18-15-4-2-3-14(15)17(21)22/h5-8,10,14-15,18H,2-4,9H2,1H3,(H,19,20)(H,21,22)/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 138021569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).