cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid

C18H20N4O3 — CID 90214357

IUPACcyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid
SMILESO=C(Nc1ccc(C2CC2N(CC2CC2)C(=O)O)cc1)c1cn[nH]c1
InChIInChI=1S/C18H20N4O3/c23-17(13-8-19-20-9-13)21-14-5-3-12(4-6-14)15-7-16(15)22(18(24)25)10-11-1-2-11/h3-6,8-9,11,15-16H,1-2,7,10H2,(H,19,20)(H,21,23)(H,24,25)
InChIKeyNXYQLJISJOOCIH-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.91
Rot. Bonds6

About cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid

cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid (PubChem CID 90214357) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Namecyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid
PubChem CID90214357
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Namecyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid
SMILESO=C(Nc1ccc(C2CC2N(CC2CC2)C(=O)O)cc1)c1cn[nH]c1
InChIInChI=1S/C18H20N4O3/c23-17(13-8-19-20-9-13)21-14-5-3-12(4-6-14)15-7-16(15)22(18(24)25)10-11-1-2-11/h3-6,8-9,11,15-16H,1-2,7,10H2,(H,19,20)(H,21,23)(H,24,25)
InChIKeyNXYQLJISJOOCIH-UHFFFAOYSA-N
XLogP2.91
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropylmethyl-[(1R,2S)-2-[4-[(4-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214048
N-(4-cyclohexylphenyl)-1H-pyrazole-4-carboxamide
CID 110466735
cyclopropylmethyl-[(1R,2S)-2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304410
N-[4-(carbamoylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 60786492
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
tert-butyl N-(cyclopropylmethyl)-N-[(1R,2S)-2-[3-[(4-pyrimidin-2-ylphenyl)carbamoyl]phenyl]cyclopropyl]carbamate
CID 131743704
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-(cyanomethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60787828
N-(4-propoxyphenyl)-1H-pyrazole-4-carboxamide
CID 62328004
N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 60933546
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182109
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid?
The IUPAC name of cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid (CID 90214357) is cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid?
The canonical SMILES for cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid is O=C(Nc1ccc(C2CC2N(CC2CC2)C(=O)O)cc1)c1cn[nH]c1.
What is the InChIKey of cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid?
The InChIKey is NXYQLJISJOOCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-17(13-8-19-20-9-13)21-14-5-3-12(4-6-14)15-7-16(15)22(18(24)25)10-11-1-2-11/h3-6,8-9,11,15-16H,1-2,7,10H2,(H,19,20)(H,21,23)(H,24,25).
What are the key properties of cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid?
cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid has a molecular weight of 340.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl-[2-[4-(1H-pyrazole-4-carbonylamino)phenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 90214357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).