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

C14H23N5 — CID 112705302

IUPAC1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)cc1CNCc1cn(C)nc1C(C)C
InChIInChI=1S/C14H23N5/c1-10(2)14-13(9-19(5)17-14)7-15-6-12-8-18(4)16-11(12)3/h8-10,15H,6-7H2,1-5H3
InChIKeyZNDYLUCDMUPDNJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.88
Rot. Bonds5

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

1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine (PubChem CID 112705302) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
PubChem CID112705302
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)cc1CNCc1cn(C)nc1C(C)C
InChIInChI=1S/C14H23N5/c1-10(2)14-13(9-19(5)17-14)7-15-6-12-8-18(4)16-11(12)3/h8-10,15H,6-7H2,1-5H3
InChIKeyZNDYLUCDMUPDNJ-UHFFFAOYSA-N
XLogP1.88
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353474
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107229813
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 114075506
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 113248219
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 109481950
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine (CID 112705302) is 1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)cc1CNCc1cn(C)nc1C(C)C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
The InChIKey is ZNDYLUCDMUPDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-10(2)14-13(9-19(5)17-14)7-15-6-12-8-18(4)16-11(12)3/h8-10,15H,6-7H2,1-5H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine?
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 112705302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).