N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine

C18H21N5O — CID 94599161

IUPACN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine
SMILESCc1nn(-c2ccccc2)c(C)c1N[C@@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C18H21N5O/c1-11-16(13(3)23(21-11)15-7-5-4-6-8-15)19-12(2)18-20-17(22-24-18)14-9-10-14/h4-8,12,14,19H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyWBMBJHIJBGKMNB-LBPRGKRZSA-N
MW323.40 g/mol
LogP3.92
Rot. Bonds5

About N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine

N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine (PubChem CID 94599161) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine
PubChem CID94599161
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine
SMILESCc1nn(-c2ccccc2)c(C)c1N[C@@H](C)c1nc(C2CC2)no1
InChIInChI=1S/C18H21N5O/c1-11-16(13(3)23(21-11)15-7-5-4-6-8-15)19-12(2)18-20-17(22-24-18)14-9-10-14/h4-8,12,14,19H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyWBMBJHIJBGKMNB-LBPRGKRZSA-N
XLogP3.92
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methylmethanamine
CID 36649204
N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 51338271
3-[3-[[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]-1,3-oxazolidin-2-one
CID 94640750
3-[3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylamino]phenyl]-1,3-oxazolidin-2-one
CID 71939095
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 134033637
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 94615289
6-cyclopropyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 17492725
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(4-ethylpiperazin-1-yl)-2-methylaniline
CID 47062076
1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]ethanamine
CID 119139022
3-cyclopropyl-5-[1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 78900452
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
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3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine?
The IUPAC name of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine (CID 94599161) is N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine.
What is the SMILES notation for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine?
The canonical SMILES for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine is Cc1nn(-c2ccccc2)c(C)c1N[C@@H](C)c1nc(C2CC2)no1.
What is the InChIKey of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine?
The InChIKey is WBMBJHIJBGKMNB-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11-16(13(3)23(21-11)15-7-5-4-6-8-15)19-12(2)18-20-17(22-24-18)14-9-10-14/h4-8,12,14,19H,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine?
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine has a molecular weight of 323.40 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3,5-dimethyl-1-phenylpyrazol-4-amine is sourced from PubChem (CID 94599161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).