[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid

C15H16N4O3 — CID 118305020

IUPAC[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
SMILESCn1cc(NC(=O)c2cccc(C3CC3NC(=O)O)c2)cn1
InChIInChI=1S/C15H16N4O3/c1-19-8-11(7-16-19)17-14(20)10-4-2-3-9(5-10)12-6-13(12)18-15(21)22/h2-5,7-8,12-13,18H,6H2,1H3,(H,17,20)(H,21,22)
InChIKeyOIQRUMXTKBDITK-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.80
Rot. Bonds4

About [2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid

[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid (PubChem CID 118305020) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is [2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
PubChem CID118305020
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
SMILESCn1cc(NC(=O)c2cccc(C3CC3NC(=O)O)c2)cn1
InChIInChI=1S/C15H16N4O3/c1-19-8-11(7-16-19)17-14(20)10-4-2-3-9(5-10)12-6-13(12)18-15(21)22/h2-5,7-8,12-13,18H,6H2,1H3,(H,17,20)(H,21,22)
InChIKeyOIQRUMXTKBDITK-UHFFFAOYSA-N
XLogP1.80
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118305146
[2-[4-[(3-methylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214092
N-(1-tert-butylpyrazol-4-yl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide;dihydrochloride
CID 118304229
[(1R,2S)-2-[4-[(3-tert-butylbenzoyl)amino]phenyl]cyclopropyl]carbamic acid
CID 90214249
N-(1-tert-butylpyrazol-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide;dihydrochloride
CID 118304511
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide;dihydrochloride
CID 118304420
N-(1-tert-butylpyrazol-4-yl)-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide;dihydrochloride
CID 118305093
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
CID 118304398
[2-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]cyclopropyl]carbamic acid
CID 90214126
3-(3-aminoprop-1-ynyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 60822281
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304316
3-(4-hydroxybut-1-ynyl)-N-(1-methylpyrazol-4-yl)benzamide
CID 60817007

Frequently Asked Questions

What is the IUPAC name of [2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid?
The IUPAC name of [2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid (CID 118305020) is [2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid.
What is the SMILES notation for [2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid?
The canonical SMILES for [2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid is Cn1cc(NC(=O)c2cccc(C3CC3NC(=O)O)c2)cn1.
What is the InChIKey of [2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid?
The InChIKey is OIQRUMXTKBDITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-19-8-11(7-16-19)17-14(20)10-4-2-3-9(5-10)12-6-13(12)18-15(21)22/h2-5,7-8,12-13,18H,6H2,1H3,(H,17,20)(H,21,22).
What are the key properties of [2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid?
[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid has a molecular weight of 300.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid is sourced from PubChem (CID 118305020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).