1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C20H19N3O2 — CID 144534226

IUPAC1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCNc1[nH]ncc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C20H19N3O2/c1-21-18-17(12-22-23-18)15-4-2-13(3-5-15)14-6-8-16(9-7-14)20(10-11-20)19(24)25/h2-9,12H,10-11H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyZWCCPFQWIBAMFF-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.90
Rot. Bonds5

About 1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 144534226) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID144534226
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCNc1[nH]ncc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C20H19N3O2/c1-21-18-17(12-22-23-18)15-4-2-13(3-5-15)14-6-8-16(9-7-14)20(10-11-20)19(24)25/h2-9,12H,10-11H2,1H3,(H,24,25)(H2,21,22,23)
InChIKeyZWCCPFQWIBAMFF-UHFFFAOYSA-N
XLogP3.90
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[4-[1-methyl-5-(methylamino)pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 144533815
1-[4-(2-ethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 169409122
1-[4-[4-[5-[(6-chloropyrazin-2-yl)methyl]-1-methylpyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 157378479
1-[4-[4-(3-methyl-1,2-oxazol-5-yl)phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 163598398
1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 82039142
3-(4-pyridin-4-yl-1H-pyrazol-5-yl)aniline;1-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 162621799
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-[4-[4-[2-(phenylmethoxycarbonylamino)-1H-pyrrol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71265635
1-[4-[4-[4-(1-hydroxy-4-phenylbutyl)-3-pyridinyl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 57386878
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117450257
1-[4-[4-(phenylcarbamoylamino)phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxylic acid
CID 141201305

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 144534226) is 1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is CNc1[nH]ncc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is ZWCCPFQWIBAMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-21-18-17(12-22-23-18)15-4-2-13(3-5-15)14-6-8-16(9-7-14)20(10-11-20)19(24)25/h2-9,12H,10-11H2,1H3,(H,24,25)(H2,21,22,23).
What are the key properties of 1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 333.39 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-(methylamino)-1H-pyrazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 144534226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).