N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine

C16H26N4 — CID 60933095

IUPACN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2c(C)nn(C(C)C)c2C)CC1
InChIInChI=1S/C16H26N4/c1-6-9-19-10-7-15(8-11-19)17-16-13(4)18-20(12(2)3)14(16)5/h1,12,15,17H,7-11H2,2-5H3
InChIKeyISATYWNFYGWYLU-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds4

About N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine

N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine (PubChem CID 60933095) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine
PubChem CID60933095
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(Nc2c(C)nn(C(C)C)c2C)CC1
InChIInChI=1S/C16H26N4/c1-6-9-19-10-7-15(8-11-19)17-16-13(4)18-20(12(2)3)14(16)5/h1,12,15,17H,7-11H2,2-5H3
InChIKeyISATYWNFYGWYLU-UHFFFAOYSA-N
XLogP2.59
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine 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

3,5-Dimethyl-1-(1-methylethyl)-1H-pyrazol-4-amine
CID 3031275
1-[(trimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 6485353
3-(3,5-dimethyl-1H-pyrazol-1-yl)piperidine
CID 54592912
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazine
CID 7175809
Pyrazole, 1-ethyl-4-dimethylamino-3,5-dimethyl-
CID 154882484
5-Methyl-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)pyrazol-4-amine
CID 118170917
4-Amino-3,5-dimethyl-1-heptylpyrazole
CID 3031274
1-(2,2,2-trifluoroethyl)-N-(1,3,5-trimethylpyrazol-4-yl)piperidin-4-amine
CID 43768905
N-(1,1-difluoropropan-2-yl)-1,3,5-trimethylpyrazol-4-amine
CID 102868014
N-(1,1-difluoropropan-2-yl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 102869214
1,3,5-trimethyl-N-(4,4,4-trifluorobutan-2-yl)pyrazol-4-amine
CID 115927517
1,3,5-trimethyl-N-(6,6,6-trifluorohexan-2-yl)pyrazol-4-amine
CID 116534110

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine (CID 60933095) is N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(Nc2c(C)nn(C(C)C)c2C)CC1.
What is the InChIKey of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is ISATYWNFYGWYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-6-9-19-10-7-15(8-11-19)17-16-13(4)18-20(12(2)3)14(16)5/h1,12,15,17H,7-11H2,2-5H3.
What are the key properties of N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine?
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 60933095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).