(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine

C9H13N5 — CID 107977933

IUPAC(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1cnc(C(N)c2ccn(C)n2)c1
InChIInChI=1S/C9H13N5/c1-13-5-8(11-6-13)9(10)7-3-4-14(2)12-7/h3-6,9H,10H2,1-2H3
InChIKeyYOLFNPACZJFTPD-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.20
Rot. Bonds2

About (1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine

(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine (PubChem CID 107977933) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
PubChem CID107977933
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine
SMILESCn1cnc(C(N)c2ccn(C)n2)c1
InChIInChI=1S/C9H13N5/c1-13-5-8(11-6-13)9(10)7-3-4-14(2)12-7/h3-6,9H,10H2,1-2H3
InChIKeyYOLFNPACZJFTPD-UHFFFAOYSA-N
XLogP0.20
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-3-yl)-(1-methylpyrazol-4-yl)methanamine
CID 65200249
(1-methylpyrazol-3-yl)-phenylmethanamine
CID 65200403
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107974705
1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
CID 130453998
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661
(1-methylpyrazol-3-yl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 103134636
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
(3,5-dibromophenyl)-(1-methylpyrazol-3-yl)methanamine
CID 107977932
(2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine
CID 107974964
(1-methylimidazol-4-yl)-(4-methylthiadiazol-5-yl)methanamine
CID 130509742
(3-fluoro-4-pyridinyl)-(1-methylimidazol-4-yl)methanamine
CID 107977396

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of (1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine (CID 107977933) is (1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine is Cn1cnc(C(N)c2ccn(C)n2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is YOLFNPACZJFTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-13-5-8(11-6-13)9(10)7-3-4-14(2)12-7/h3-6,9H,10H2,1-2H3.
What are the key properties of (1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine?
(1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 191.24 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 107977933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).