(1-pyridin-4-ylpyrazol-4-yl)methanamine

C9H10N4 — CID 20983373

IUPAC(1-pyridin-4-ylpyrazol-4-yl)methanamine
SMILESNCc1cnn(-c2ccncc2)c1
InChIInChI=1S/C9H10N4/c10-5-8-6-12-13(7-8)9-1-3-11-4-2-9/h1-4,6-7H,5,10H2
InChIKeyNHCRQTLEUIBJTR-UHFFFAOYSA-N
MW174.21 g/mol
LogP0.73
Rot. Bonds2

About (1-pyridin-4-ylpyrazol-4-yl)methanamine

(1-pyridin-4-ylpyrazol-4-yl)methanamine (PubChem CID 20983373) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is (1-pyridin-4-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-pyridin-4-ylpyrazol-4-yl)methanamine
PubChem CID20983373
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name(1-pyridin-4-ylpyrazol-4-yl)methanamine
SMILESNCc1cnn(-c2ccncc2)c1
InChIInChI=1S/C9H10N4/c10-5-8-6-12-13(7-8)9-1-3-11-4-2-9/h1-4,6-7H,5,10H2
InChIKeyNHCRQTLEUIBJTR-UHFFFAOYSA-N
XLogP0.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-chloropropyl)pyrazol-1-yl]pyridine
CID 62718920
4-[4-(aminomethyl)pyrazol-1-yl]pyridine-2-carbonitrile
CID 82505920
[1-(2-pyridin-4-ylethyl)pyrazol-4-yl]methanamine
CID 63253968
1-pyridin-4-ylpyrazole-4-sulfonamide
CID 61394896
4-[4-(2-aminoethyl)pyrazol-1-yl]phenol
CID 83881516
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
[1-(3-methyl-2-pyridinyl)pyrazol-4-yl]methanamine
CID 82504471
[1-(4-chloropyrimidin-2-yl)pyrazol-4-yl]methanamine
CID 84780964
[1-(3-chloro-2-pyridinyl)pyrazol-4-yl]methanamine
CID 82507728
3-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-4-one
CID 115696938
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 56793000
2-[1-(4-methoxyphenyl)pyrazol-4-yl]ethanamine
CID 82285171

Frequently Asked Questions

What is the IUPAC name of (1-pyridin-4-ylpyrazol-4-yl)methanamine?
The IUPAC name of (1-pyridin-4-ylpyrazol-4-yl)methanamine (CID 20983373) is (1-pyridin-4-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1-pyridin-4-ylpyrazol-4-yl)methanamine?
The canonical SMILES for (1-pyridin-4-ylpyrazol-4-yl)methanamine is NCc1cnn(-c2ccncc2)c1.
What is the InChIKey of (1-pyridin-4-ylpyrazol-4-yl)methanamine?
The InChIKey is NHCRQTLEUIBJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c10-5-8-6-12-13(7-8)9-1-3-11-4-2-9/h1-4,6-7H,5,10H2.
What are the key properties of (1-pyridin-4-ylpyrazol-4-yl)methanamine?
(1-pyridin-4-ylpyrazol-4-yl)methanamine has a molecular weight of 174.21 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyridin-4-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 20983373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).