4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide

C18H22N4O — CID 118304398

IUPAC4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cn1
InChIInChI=1S/C18H22N4O/c1-22-11-15(10-20-22)21-18(23)14-6-4-13(5-7-14)16-8-17(16)19-9-12-2-3-12/h4-7,10-12,16-17,19H,2-3,8-9H2,1H3,(H,21,23)/t16-,17+/m0/s1
InChIKeySTJBBDLVYMKNIB-DLBZAZTESA-N
MW310.40 g/mol
LogP2.53
Rot. Bonds6

About 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide

4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide (PubChem CID 118304398) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
PubChem CID118304398
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide
SMILESCn1cc(NC(=O)c2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cn1
InChIInChI=1S/C18H22N4O/c1-22-11-15(10-20-22)21-18(23)14-6-4-13(5-7-14)16-8-17(16)19-9-12-2-3-12/h4-7,10-12,16-17,19H,2-3,8-9H2,1H3,(H,21,23)/t16-,17+/m0/s1
InChIKeySTJBBDLVYMKNIB-DLBZAZTESA-N
XLogP2.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]pyrazole-4-carboxamide;hydrochloride
CID 174723371
4-tert-butyl-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214029
4-tert-butyl-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 90214032
4-benzamido-N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide
CID 86729911
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-(dimethylamino)benzamide
CID 90214253
N-(1-tert-butylpyrazol-4-yl)-3-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide;dihydrochloride
CID 118304511
4-[2-(cyclopropylmethylamino)cyclopropyl]-N-methylbenzamide
CID 174857997
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyridin-4-ylbenzamide
CID 90214031
N-[4-[(1R,2S)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-phenylbenzamide
CID 90213996
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 71260518
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
N-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-4-pyrimidin-2-ylbenzamide
CID 90214109

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
The IUPAC name of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide (CID 118304398) is 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide is Cn1cc(NC(=O)c2ccc([C@@H]3C[C@H]3NCC3CC3)cc2)cn1.
What is the InChIKey of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
The InChIKey is STJBBDLVYMKNIB-DLBZAZTESA-N. The full InChI is InChI=1S/C18H22N4O/c1-22-11-15(10-20-22)21-18(23)14-6-4-13(5-7-14)16-8-17(16)19-9-12-2-3-12/h4-7,10-12,16-17,19H,2-3,8-9H2,1H3,(H,21,23)/t16-,17+/m0/s1.
What are the key properties of 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide?
4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide has a molecular weight of 310.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(1-methylpyrazol-4-yl)benzamide is sourced from PubChem (CID 118304398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).