N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine

C18H32N6 — CID 95292325

IUPACN,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(N(C)C)c1CN[C@H](c1nccn1C)C(C)C
InChIInChI=1S/C18H32N6/c1-12(2)15-14(18(22(5)6)24(8)21-15)11-20-16(13(3)4)17-19-9-10-23(17)7/h9-10,12-13,16,20H,11H2,1-8H3/t16-/m0/s1
InChIKeyKGVFSERWBZQCDC-INIZCTEOSA-N
MW332.50 g/mol
LogP2.83
Rot. Bonds7

About N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine

N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine (PubChem CID 95292325) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine
PubChem CID95292325
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC NameN,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine
SMILESCC(C)c1nn(C)c(N(C)C)c1CN[C@H](c1nccn1C)C(C)C
InChIInChI=1S/C18H32N6/c1-12(2)15-14(18(22(5)6)24(8)21-15)11-20-16(13(3)4)17-19-9-10-23(17)7/h9-10,12-13,16,20H,11H2,1-8H3/t16-/m0/s1
InChIKeyKGVFSERWBZQCDC-INIZCTEOSA-N
XLogP2.83
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine 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,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine?
The IUPAC name of N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine (CID 95292325) is N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine.
What is the SMILES notation for N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine?
The canonical SMILES for N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine is CC(C)c1nn(C)c(N(C)C)c1CN[C@H](c1nccn1C)C(C)C.
What is the InChIKey of N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine?
The InChIKey is KGVFSERWBZQCDC-INIZCTEOSA-N. The full InChI is InChI=1S/C18H32N6/c1-12(2)15-14(18(22(5)6)24(8)21-15)11-20-16(13(3)4)17-19-9-10-23(17)7/h9-10,12-13,16,20H,11H2,1-8H3/t16-/m0/s1.
What are the key properties of N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine?
N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine has a molecular weight of 332.50 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-4-[[[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]methyl]-3-propan-2-ylpyrazol-5-amine is sourced from PubChem (CID 95292325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).