(1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine

C14H17N5 — CID 103126377

IUPAC(1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine
SMILESCCn1cc(C(N)c2nn(C)c3ccccc23)cn1
InChIInChI=1S/C14H17N5/c1-3-19-9-10(8-16-19)13(15)14-11-6-4-5-7-12(11)18(2)17-14/h4-9,13H,3,15H2,1-2H3
InChIKeyYCBRJFVRKLFCKM-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.84
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine

(1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine (PubChem CID 103126377) has the molecular formula C14H17N5 and a molecular weight of 255.32 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine
PubChem CID103126377
Molecular FormulaC14H17N5
Molecular Weight255.32 g/mol
Exact Mass255.15
IUPAC Name(1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine
SMILESCCn1cc(C(N)c2nn(C)c3ccccc23)cn1
InChIInChI=1S/C14H17N5/c1-3-19-9-10(8-16-19)13(15)14-11-6-4-5-7-12(11)18(2)17-14/h4-9,13H,3,15H2,1-2H3
InChIKeyYCBRJFVRKLFCKM-UHFFFAOYSA-N
XLogP1.84
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 103126319
(1-methylindazol-3-yl)-(3-methyltriazol-4-yl)methanamine
CID 103128231
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
(2-chlorophenyl)-(1-methylindazol-3-yl)methanamine
CID 103126271
isoquinolin-1-yl-(1-propylpyrazol-4-yl)methanamine
CID 63950472
(2,5-dimethylpyrazol-3-yl)-(1-ethylpyrazol-4-yl)methanamine
CID 105109125
(2-ethoxyphenyl)-(1-ethylpyrazol-4-yl)methanamine
CID 113330367
3-(difluoromethyl)-1-methylindazole
CID 153487584
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 103127966
3-methyl-1-(1-methylindazol-3-yl)hexan-1-amine
CID 103126789
(2,3-difluoro-4-methylphenyl)-(1-methylindazol-3-yl)methanamine
CID 107516114

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine?
The IUPAC name of (1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine (CID 103126377) is (1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine is CCn1cc(C(N)c2nn(C)c3ccccc23)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine?
The InChIKey is YCBRJFVRKLFCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-3-19-9-10(8-16-19)13(15)14-11-6-4-5-7-12(11)18(2)17-14/h4-9,13H,3,15H2,1-2H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine?
(1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine has a molecular weight of 255.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(1-methylindazol-3-yl)methanamine is sourced from PubChem (CID 103126377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).