3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine

C11H18N6 — CID 66027834

IUPAC3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCc1cn[nH]c1
InChIInChI=1S/C11H18N6/c1-3-4-17-11(10(12)8(2)16-17)13-5-9-6-14-15-7-9/h6-7,13H,3-5,12H2,1-2H3,(H,14,15)
InChIKeyODAREYFJHLLVRW-UHFFFAOYSA-N
MW234.31 g/mol
LogP1.52
Rot. Bonds5

About 3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine

3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine (PubChem CID 66027834) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine
PubChem CID66027834
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine
SMILESCCCn1nc(C)c(N)c1NCc1cn[nH]c1
InChIInChI=1S/C11H18N6/c1-3-4-17-11(10(12)8(2)16-17)13-5-9-6-14-15-7-9/h6-7,13H,3-5,12H2,1-2H3,(H,14,15)
InChIKeyODAREYFJHLLVRW-UHFFFAOYSA-N
XLogP1.52
TPSA84.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 106369784
5-N-[(3-fluorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66027410
3-methyl-5-N-[(5-methylthiophen-2-yl)methyl]-1-propylpyrazole-4,5-diamine
CID 66029585
5-N-[(2-chlorophenyl)methyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029529
5-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-propylpyrazole-4,5-diamine
CID 66028755
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]-2-methylpropan-1-ol
CID 66029551
3-methyl-5-N-(2-methylbutan-2-yl)-1-propylpyrazole-4,5-diamine
CID 66027987
2,6-dimethyl-4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
CID 146843134
2-[(4-amino-3-methyl-1-propylpyrazol-5-yl)amino]ethanesulfonamide
CID 66028394
5-N-(3,5-dimethylphenyl)-3-methyl-1-propylpyrazole-4,5-diamine
CID 66029347
3-methyl-5-N-(4-methylcyclohexyl)-1-propylpyrazole-4,5-diamine
CID 66027024
3-methyl-1-propyl-5-N-(3-pyrrolidin-1-ylpropyl)pyrazole-4,5-diamine
CID 66029788

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine?
The IUPAC name of 3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine (CID 66027834) is 3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine is CCCn1nc(C)c(N)c1NCc1cn[nH]c1.
What is the InChIKey of 3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine?
The InChIKey is ODAREYFJHLLVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-3-4-17-11(10(12)8(2)16-17)13-5-9-6-14-15-7-9/h6-7,13H,3-5,12H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine?
3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine has a molecular weight of 234.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-5-N-(1H-pyrazol-4-ylmethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66027834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).