1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine

C14H23N5 — CID 102805025

IUPAC1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
SMILESCCC(CC)n1ccc(CNc2cn(C)nc2C)n1
InChIInChI=1S/C14H23N5/c1-5-13(6-2)19-8-7-12(17-19)9-15-14-10-18(4)16-11(14)3/h7-8,10,13,15H,5-6,9H2,1-4H3
InChIKeyDWMCSMQJRHIQIB-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.90
Rot. Bonds6

About 1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine

1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine (PubChem CID 102805025) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
PubChem CID102805025
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine
SMILESCCC(CC)n1ccc(CNc2cn(C)nc2C)n1
InChIInChI=1S/C14H23N5/c1-5-13(6-2)19-8-7-12(17-19)9-15-14-10-18(4)16-11(14)3/h7-8,10,13,15H,5-6,9H2,1-4H3
InChIKeyDWMCSMQJRHIQIB-UHFFFAOYSA-N
XLogP2.90
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800231
2-chloro-4-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64801604
5-chloro-2-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64799073
1,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 104954401
1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166559
2,6-dibromo-4-methyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800837
2-(methoxymethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64799329
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840
2,2,3,3-tetramethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 79359126
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]thiophen-3-amine
CID 66351054
5-bromo-2-methoxy-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]aniline
CID 64800296

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine (CID 102805025) is 1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine is CCC(CC)n1ccc(CNc2cn(C)nc2C)n1.
What is the InChIKey of 1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is DWMCSMQJRHIQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-5-13(6-2)19-8-7-12(17-19)9-15-14-10-18(4)16-11(14)3/h7-8,10,13,15H,5-6,9H2,1-4H3.
What are the key properties of 1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine?
1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 102805025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).