[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid

C18H16FN5O3 — CID 71134013

IUPAC[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid
SMILESNc1cn(-c2ccc(F)cc2)nc1NC(=O)c1ccc(CNC(=O)O)cc1
InChIInChI=1S/C18H16FN5O3/c19-13-5-7-14(8-6-13)24-10-15(20)16(23-24)22-17(25)12-3-1-11(2-4-12)9-21-18(26)27/h1-8,10,21H,9,20H2,(H,26,27)(H,22,23,25)
InChIKeyRDJVPAPCDDKZBH-UHFFFAOYSA-N
MW369.36 g/mol
LogP2.61
Rot. Bonds5

About [4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid

[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid (PubChem CID 71134013) has the molecular formula C18H16FN5O3 and a molecular weight of 369.36 g/mol. Its IUPAC name is [4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid
PubChem CID71134013
Molecular FormulaC18H16FN5O3
Molecular Weight369.36 g/mol
Exact Mass369.12
IUPAC Name[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid
SMILESNc1cn(-c2ccc(F)cc2)nc1NC(=O)c1ccc(CNC(=O)O)cc1
InChIInChI=1S/C18H16FN5O3/c19-13-5-7-14(8-6-13)24-10-15(20)16(23-24)22-17(25)12-3-1-11(2-4-12)9-21-18(26)27/h1-8,10,21H,9,20H2,(H,26,27)(H,22,23,25)
InChIKeyRDJVPAPCDDKZBH-UHFFFAOYSA-N
XLogP2.61
TPSA122.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-amino-1-thiophen-3-ylpyrazol-3-yl)carbamoyl]phenyl]methylcarbamic acid
CID 71133855
4-(aminomethyl)-N-(4-amino-1-phenylpyrazol-3-yl)benzamide
CID 16738872
4-[(carbamoylamino)methyl]-N-(4-methyl-1-phenylpyrazol-3-yl)benzamide
CID 56803343
N-(4-amino-1-phenylpyrazol-3-yl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 16739102
[4-[[4-amino-1-(4-chlorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl-(pyridin-3-ylmethyl)carbamic acid
CID 67406525
pyridin-3-ylmethyl N-[[4-[[4-amino-1-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]carbamoyl]phenyl]methyl]carbamate
CID 16738904
[4-[(4-amino-1-naphthalen-2-ylpyrazol-3-yl)carbamoyl]phenyl]methyl N-(pyridin-3-ylmethyl)carbamate
CID 91202922
4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24535888
N-(3-amino-4-pyridinyl)-4-[[(4-fluorophenyl)methylcarbamoylamino]methyl]benzamide
CID 44594972
N-[(4-fluorophenyl)methyl]-4-(5-methylpyrazol-1-yl)benzamide
CID 9270477
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255

Frequently Asked Questions

What is the IUPAC name of [4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid?
The IUPAC name of [4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid (CID 71134013) is [4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid.
What is the SMILES notation for [4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid?
The canonical SMILES for [4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid is Nc1cn(-c2ccc(F)cc2)nc1NC(=O)c1ccc(CNC(=O)O)cc1.
What is the InChIKey of [4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid?
The InChIKey is RDJVPAPCDDKZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O3/c19-13-5-7-14(8-6-13)24-10-15(20)16(23-24)22-17(25)12-3-1-11(2-4-12)9-21-18(26)27/h1-8,10,21H,9,20H2,(H,26,27)(H,22,23,25).
What are the key properties of [4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid?
[4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid has a molecular weight of 369.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-amino-1-(4-fluorophenyl)pyrazol-3-yl]carbamoyl]phenyl]methylcarbamic acid is sourced from PubChem (CID 71134013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).