N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine

C12H17N5 — CID 103130771

IUPACN-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)c1ncccn1
InChIInChI=1S/C12H17N5/c1-3-6-13-11(10-5-9-17(2)16-10)12-14-7-4-8-15-12/h4-5,7-9,11,13H,3,6H2,1-2H3
InChIKeyJOKLMZPGUUHPBZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.30
Rot. Bonds5

About N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine

N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine (PubChem CID 103130771) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine
PubChem CID103130771
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)c1ncccn1
InChIInChI=1S/C12H17N5/c1-3-6-13-11(10-5-9-17(2)16-10)12-14-7-4-8-15-12/h4-5,7-9,11,13H,3,6H2,1-2H3
InChIKeyJOKLMZPGUUHPBZ-UHFFFAOYSA-N
XLogP1.30
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-tert-butylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135640
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135352
N-[(3-bromo-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135450
N-[1-benzofuran-2-yl-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114729081
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134392
N-[(4,5-dimethylthiophen-2-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134486
N-[(3-bromo-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 106645666
N-[(1-methylpyrazol-3-yl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]propan-1-amine
CID 103134582
N-[(5-chloro-2-fluorophenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103131480
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82808455
N-[(1-methylpyrazol-3-yl)-(2-methyl-3-pyridinyl)methyl]ethanamine
CID 103135601
N-[(4-bromo-1-propylpyrazol-5-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 114654562

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine (CID 103130771) is N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine is CCCNC(c1ccn(C)n1)c1ncccn1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine?
The InChIKey is JOKLMZPGUUHPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-3-6-13-11(10-5-9-17(2)16-10)12-14-7-4-8-15-12/h4-5,7-9,11,13H,3,6H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine?
N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)-pyrimidin-2-ylmethyl]propan-1-amine is sourced from PubChem (CID 103130771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).