[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine

C13H21N5 — CID 64773488

IUPAC[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine
SMILESCc1nn(Cc2ccn(C(C)C)n2)c(C)c1CN
InChIInChI=1S/C13H21N5/c1-9(2)17-6-5-12(16-17)8-18-11(4)13(7-14)10(3)15-18/h5-6,9H,7-8,14H2,1-4H3
InChIKeyUTZHWSDQMZXNBC-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.78
Rot. Bonds4

About [3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine

[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine (PubChem CID 64773488) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is [3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine
PubChem CID64773488
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine
SMILESCc1nn(Cc2ccn(C(C)C)n2)c(C)c1CN
InChIInChI=1S/C13H21N5/c1-9(2)17-6-5-12(16-17)8-18-11(4)13(7-14)10(3)15-18/h5-6,9H,7-8,14H2,1-4H3
InChIKeyUTZHWSDQMZXNBC-UHFFFAOYSA-N
XLogP1.78
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-4-carboxylic acid
CID 64771130
1-[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]-N-methylethanamine
CID 64771590
[3,5-dimethyl-1-(pyrimidin-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62697887
1-[3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-yl]ethanol
CID 64778119
3,5-dimethyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazole-4-carbaldehyde
CID 64785210
[3,5-dimethyl-1-[(3-methyl-2-pyridinyl)methyl]pyrazol-4-yl]methanamine
CID 112651057
[1-[(1-ethylimidazol-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 62736781
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105154876
1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-3-amine
CID 64773024
3,5-diethyl-4-iodo-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole
CID 82702321
[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine
CID 66141535
2-phenyl-3-(1-propan-2-ylpyrazol-3-yl)propan-1-amine
CID 65431517

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine?
The IUPAC name of [3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine (CID 64773488) is [3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine.
What is the SMILES notation for [3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine?
The canonical SMILES for [3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine is Cc1nn(Cc2ccn(C(C)C)n2)c(C)c1CN.
What is the InChIKey of [3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine?
The InChIKey is UTZHWSDQMZXNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(2)17-6-5-12(16-17)8-18-11(4)13(7-14)10(3)15-18/h5-6,9H,7-8,14H2,1-4H3.
What are the key properties of [3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine?
[3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine has a molecular weight of 247.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-4-yl]methanamine is sourced from PubChem (CID 64773488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).