(1-pyrimidin-5-ylpyrazol-3-yl)methanamine

C8H9N5 — CID 96630291

IUPAC(1-pyrimidin-5-ylpyrazol-3-yl)methanamine
SMILESNCc1ccn(-c2cncnc2)n1
InChIInChI=1S/C8H9N5/c9-3-7-1-2-13(12-7)8-4-10-6-11-5-8/h1-2,4-6H,3,9H2
InChIKeyNOCXMRREDNZYKE-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.12
Rot. Bonds2

About (1-pyrimidin-5-ylpyrazol-3-yl)methanamine

(1-pyrimidin-5-ylpyrazol-3-yl)methanamine (PubChem CID 96630291) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is (1-pyrimidin-5-ylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(1-pyrimidin-5-ylpyrazol-3-yl)methanamine
PubChem CID96630291
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Name(1-pyrimidin-5-ylpyrazol-3-yl)methanamine
SMILESNCc1ccn(-c2cncnc2)n1
InChIInChI=1S/C8H9N5/c9-3-7-1-2-13(12-7)8-4-10-6-11-5-8/h1-2,4-6H,3,9H2
InChIKeyNOCXMRREDNZYKE-UHFFFAOYSA-N
XLogP0.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine
CID 107590369
2-(1-phenylpyrazol-3-yl)ethanamine
CID 47003016
4-(3-ethylpyrazol-1-yl)pyridine
CID 66015534
[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]pyrazol-3-yl]methanamine
CID 170608530
[4-(3-butylpyrazol-1-yl)phenyl]methanamine
CID 174492668
[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methanamine
CID 113320436
1-[6-(aminomethyl)-3-pyridinyl]pyrazole-3-carboxamide
CID 115487131
pyrimidin-5-ylmethanamine;hydrochloride
CID 53308484
[4-(3-fluoropyrazol-1-yl)phenyl]methanamine
CID 129139637
[4-(3-methylpyrazol-1-yl)phenyl]methanamine
CID 19627295
1-phenyl-3-(pyrrol-1-ylmethyl)pyrazole
CID 63811432
2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine
CID 107587084

Frequently Asked Questions

What is the IUPAC name of (1-pyrimidin-5-ylpyrazol-3-yl)methanamine?
The IUPAC name of (1-pyrimidin-5-ylpyrazol-3-yl)methanamine (CID 96630291) is (1-pyrimidin-5-ylpyrazol-3-yl)methanamine.
What is the SMILES notation for (1-pyrimidin-5-ylpyrazol-3-yl)methanamine?
The canonical SMILES for (1-pyrimidin-5-ylpyrazol-3-yl)methanamine is NCc1ccn(-c2cncnc2)n1.
What is the InChIKey of (1-pyrimidin-5-ylpyrazol-3-yl)methanamine?
The InChIKey is NOCXMRREDNZYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5/c9-3-7-1-2-13(12-7)8-4-10-6-11-5-8/h1-2,4-6H,3,9H2.
What are the key properties of (1-pyrimidin-5-ylpyrazol-3-yl)methanamine?
(1-pyrimidin-5-ylpyrazol-3-yl)methanamine has a molecular weight of 175.19 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrimidin-5-ylpyrazol-3-yl)methanamine is sourced from PubChem (CID 96630291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).