N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine

C13H21N5 — CID 114075506

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1CNCc1cnn(C(C)C)c1
InChIInChI=1S/C13H21N5/c1-10(2)18-8-12(6-15-18)5-14-7-13-9-17(4)16-11(13)3/h6,8-10,14H,5,7H2,1-4H3
InChIKeyRSGSGGDHISJBNH-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.80
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 114075506) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID114075506
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCc1nn(C)cc1CNCc1cnn(C(C)C)c1
InChIInChI=1S/C13H21N5/c1-10(2)18-8-12(6-15-18)5-14-7-13-9-17(4)16-11(13)3/h6,8-10,14H,5,7H2,1-4H3
InChIKeyRSGSGGDHISJBNH-UHFFFAOYSA-N
XLogP1.80
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-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

Related Compounds

N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 122167495
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine;hydrochloride
CID 126966572
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-4-yl]methanamine
CID 122166655
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)-N-[(1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122167004
4-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzene-1,2-diol
CID 112668482
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine;hydrochloride
CID 126968269
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103700717
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluoro-4-methylphenyl)methanamine
CID 112705206
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine (CID 114075506) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine is Cc1nn(C)cc1CNCc1cnn(C(C)C)c1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is RSGSGGDHISJBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-10(2)18-8-12(6-15-18)5-14-7-13-9-17(4)16-11(13)3/h6,8-10,14H,5,7H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 247.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 114075506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).