N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine

C15H17N5 — CID 115990483

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
SMILESCCc1nn(C)cc1CNc1cnnc2ccccc12
InChIInChI=1S/C15H17N5/c1-3-13-11(10-20(2)19-13)8-16-15-9-17-18-14-7-5-4-6-12(14)15/h4-7,9-10H,3,8H2,1-2H3,(H,16,18)
InChIKeyZNOHBXMEQFZHRF-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.54
Rot. Bonds4

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine (PubChem CID 115990483) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
PubChem CID115990483
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
SMILESCCc1nn(C)cc1CNc1cnnc2ccccc12
InChIInChI=1S/C15H17N5/c1-3-13-11(10-20(2)19-13)8-16-15-9-17-18-14-7-5-4-6-12(14)15/h4-7,9-10H,3,8H2,1-2H3,(H,16,18)
InChIKeyZNOHBXMEQFZHRF-UHFFFAOYSA-N
XLogP2.54
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
CID 55214546
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]isoquinolin-1-amine
CID 115990474
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylphthalazin-1-amine
CID 115887018
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyridazin-3-amine
CID 106549913
3-ethyl-1-methyl-N-[(1-methylindol-3-yl)methyl]pyrazol-4-amine
CID 107462367
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,3-difluoroaniline
CID 112668970
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1H-benzimidazol-2-amine
CID 112550005
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-6-fluorobenzenecarbothioamide
CID 115990211
4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 112668861
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 112668224
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]phenol
CID 112668893
2,5-dibromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668885

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine (CID 115990483) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine is CCc1nn(C)cc1CNc1cnnc2ccccc12.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine?
The InChIKey is ZNOHBXMEQFZHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-3-13-11(10-20(2)19-13)8-16-15-9-17-18-14-7-5-4-6-12(14)15/h4-7,9-10H,3,8H2,1-2H3,(H,16,18).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine has a molecular weight of 267.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cinnolin-4-amine is sourced from PubChem (CID 115990483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).