N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine

C15H23N5O — CID 29219599

IUPACN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
SMILESCc1n[nH]c(C)c1CCN(C)Cc1nc(CC2CC2)no1
InChIInChI=1S/C15H23N5O/c1-10-13(11(2)18-17-10)6-7-20(3)9-15-16-14(19-21-15)8-12-4-5-12/h12H,4-9H2,1-3H3,(H,17,18)
InChIKeyBFFZNZXKQYCZMW-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.04
Rot. Bonds7

About N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine

N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine (PubChem CID 29219599) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
PubChem CID29219599
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC NameN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
SMILESCc1n[nH]c(C)c1CCN(C)Cc1nc(CC2CC2)no1
InChIInChI=1S/C15H23N5O/c1-10-13(11(2)18-17-10)6-7-20(3)9-15-16-14(19-21-15)8-12-4-5-12/h12H,4-9H2,1-3H3,(H,17,18)
InChIKeyBFFZNZXKQYCZMW-UHFFFAOYSA-N
XLogP2.04
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 16191178
3-Tert-butyl-5-[1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]-1,2,4-oxadiazole
CID 53588275
1-({5-[(3,5-Dimethyl-1H-pyrazol-4-YL)methyl]-1,2,4-oxadiazol-3-YL}methyl)-4-methylpiperazine
CID 56711321
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylmethanamine
CID 77078989
1-(4-chloro-3-methyl-1H-pyrazol-5-yl)-N-[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylmethanamine
CID 77089507
N-[2-(3-Cyclopropyl-1,2,4-oxadiazol-5-YL)ethyl]-2-(3,5-dimethyl-1H-pyrazol-4-YL)acetamide
CID 124213755
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]acetamide
CID 131903345
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylacetamide
CID 132414538
N,5-diethyl-N-[(3-isopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-methyl-1H-pyrazole-3-carboxamide
CID 132421033
3-tert-butyl-5-[(1S)-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]-1,2,4-oxadiazole
CID 95308267
3-tert-butyl-5-[(1R)-1-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]-1,2,4-oxadiazole
CID 95308268
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methyl-N-{[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl}propan-1-amine
CID 129619079

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
The IUPAC name of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine (CID 29219599) is N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine.
What is the SMILES notation for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
The canonical SMILES for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine is Cc1n[nH]c(C)c1CCN(C)Cc1nc(CC2CC2)no1.
What is the InChIKey of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
The InChIKey is BFFZNZXKQYCZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-13(11(2)18-17-10)6-7-20(3)9-15-16-14(19-21-15)8-12-4-5-12/h12H,4-9H2,1-3H3,(H,17,18).
What are the key properties of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine?
N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine has a molecular weight of 289.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine is sourced from PubChem (CID 29219599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).