N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine

C13H13N5 — CID 55214546

IUPACN-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
SMILESCn1cc(CNc2cnnc3ccccc23)cn1
InChIInChI=1S/C13H13N5/c1-18-9-10(7-16-18)6-14-13-8-15-17-12-5-3-2-4-11(12)13/h2-5,7-9H,6H2,1H3,(H,14,17)
InChIKeyGPMWXSVGLGSDQX-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.98
Rot. Bonds3

About N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine

N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine (PubChem CID 55214546) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
PubChem CID55214546
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
SMILESCn1cc(CNc2cnnc3ccccc23)cn1
InChIInChI=1S/C13H13N5/c1-18-9-10(7-16-18)6-14-13-8-15-17-12-5-3-2-4-11(12)13/h2-5,7-9H,6H2,1H3,(H,14,17)
InChIKeyGPMWXSVGLGSDQX-UHFFFAOYSA-N
XLogP1.98
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]cinnolin-4-amine
CID 63586924
N-[(4-bromophenyl)methyl]cinnolin-4-amine
CID 55213389
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
N-(2H-tetrazol-5-ylmethyl)cinnolin-4-amine
CID 63587706
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600445
N-[(1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 39756579
4-[(cinnolin-4-ylamino)methyl]benzoic acid
CID 63587099
1-N-cinnolin-4-yl-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 63586754
2-ethylsulfonyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 43738150
2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28774430
N-(thiophen-2-ylmethyl)cinnolin-4-amine
CID 63588069
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine (CID 55214546) is N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine is Cn1cc(CNc2cnnc3ccccc23)cn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine?
The InChIKey is GPMWXSVGLGSDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-9-10(7-16-18)6-14-13-8-15-17-12-5-3-2-4-11(12)13/h2-5,7-9H,6H2,1H3,(H,14,17).
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine?
N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine has a molecular weight of 239.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine is sourced from PubChem (CID 55214546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).