N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide

C18H33N5O — CID 75478681

IUPACN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
SMILESCc1nn(C(C)(C)C)cc1C(C)NC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C18H33N5O/c1-13(16-12-23(18(3,4)5)20-14(16)2)19-17(24)22-10-8-9-15(11-22)21(6)7/h12-13,15H,8-11H2,1-7H3,(H,19,24)
InChIKeyQTLGRVXZSRADGD-UHFFFAOYSA-N
MW335.50 g/mol
LogP2.74
Rot. Bonds3

About N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide

N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide (PubChem CID 75478681) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
PubChem CID75478681
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC NameN-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide
SMILESCc1nn(C(C)(C)C)cc1C(C)NC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C18H33N5O/c1-13(16-12-23(18(3,4)5)20-14(16)2)19-17(24)22-10-8-9-15(11-22)21(6)7/h12-13,15H,8-11H2,1-7H3,(H,19,24)
InChIKeyQTLGRVXZSRADGD-UHFFFAOYSA-N
XLogP2.74
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The IUPAC name of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide (CID 75478681) is N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide is Cc1nn(C(C)(C)C)cc1C(C)NC(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
The InChIKey is QTLGRVXZSRADGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-13(16-12-23(18(3,4)5)20-14(16)2)19-17(24)22-10-8-9-15(11-22)21(6)7/h12-13,15H,8-11H2,1-7H3,(H,19,24).
What are the key properties of N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide?
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide has a molecular weight of 335.50 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-3-(dimethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 75478681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).