N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

C16H30N4 — CID 56820931

IUPACN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(CNCc2cn[nH]c2C(C)(C)C)C1
InChIInChI=1S/C16H30N4/c1-12(2)20-7-6-13(11-20)8-17-9-14-10-18-19-15(14)16(3,4)5/h10,12-13,17H,6-9,11H2,1-5H3,(H,18,19)
InChIKeyZVJRQTRVZLVVTM-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.53
Rot. Bonds5

About N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine

N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (PubChem CID 56820931) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
PubChem CID56820931
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
SMILESCC(C)N1CCC(CNCc2cn[nH]c2C(C)(C)C)C1
InChIInChI=1S/C16H30N4/c1-12(2)20-7-6-13(11-20)8-17-9-14-10-18-19-15(14)16(3,4)5/h10,12-13,17H,6-9,11H2,1-5H3,(H,18,19)
InChIKeyZVJRQTRVZLVVTM-UHFFFAOYSA-N
XLogP2.53
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine 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-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine (CID 56820931) is N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is CC(C)N1CCC(CNCc2cn[nH]c2C(C)(C)C)C1.
What is the InChIKey of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
The InChIKey is ZVJRQTRVZLVVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12(2)20-7-6-13(11-20)8-17-9-14-10-18-19-15(14)16(3,4)5/h10,12-13,17H,6-9,11H2,1-5H3,(H,18,19).
What are the key properties of N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine?
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine has a molecular weight of 278.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 56820931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).