3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide

C17H20N4O — CID 118304860

IUPAC3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
SMILESNC1CC1c1cccc(C(=O)Nc2cnn(CC3CC3)c2)c1
InChIInChI=1S/C17H20N4O/c18-16-7-15(16)12-2-1-3-13(6-12)17(22)20-14-8-19-21(10-14)9-11-4-5-11/h1-3,6,8,10-11,15-16H,4-5,7,9,18H2,(H,20,22)
InChIKeyNDZXCRWNOIUALC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.36
Rot. Bonds5

About 3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide

3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide (PubChem CID 118304860) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
PubChem CID118304860
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
SMILESNC1CC1c1cccc(C(=O)Nc2cnn(CC3CC3)c2)c1
InChIInChI=1S/C17H20N4O/c18-16-7-15(16)12-2-1-3-13(6-12)17(22)20-14-8-19-21(10-14)9-11-4-5-11/h1-3,6,8,10-11,15-16H,4-5,7,9,18H2,(H,20,22)
InChIKeyNDZXCRWNOIUALC-UHFFFAOYSA-N
XLogP2.36
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118305146
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide;dihydrochloride
CID 118304420
cyclopropylmethyl-[(1R,2S)-2-[3-[[1-(cyclopropylmethyl)pyrazol-4-yl]carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118304410
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-[(1S,2R)-2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304316
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-3-[(1S,2R)-2-[(1-cyclopropylpiperidin-4-yl)amino]cyclopropyl]benzamide
CID 118304113
N-[1-(cyclopropylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 95749448
4-bromo-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide
CID 95749420
N-(1-tert-butylpyrazol-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide;dihydrochloride
CID 118304511
N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
CID 118734108
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 95749180
[2-[3-[(1-methylpyrazol-4-yl)carbamoyl]phenyl]cyclopropyl]carbamic acid
CID 118305020
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide?
The IUPAC name of 3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide (CID 118304860) is 3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for 3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide?
The canonical SMILES for 3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide is NC1CC1c1cccc(C(=O)Nc2cnn(CC3CC3)c2)c1.
What is the InChIKey of 3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide?
The InChIKey is NDZXCRWNOIUALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-16-7-15(16)12-2-1-3-13(6-12)17(22)20-14-8-19-21(10-14)9-11-4-5-11/h1-3,6,8,10-11,15-16H,4-5,7,9,18H2,(H,20,22).
What are the key properties of 3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide?
3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminocyclopropyl)-N-[1-(cyclopropylmethyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 118304860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).