N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine

C11H15N5 — CID 107590369

IUPACN-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNCc1ccn(-c2cncnc2)n1
InChIInChI=1S/C11H15N5/c1-2-4-12-6-10-3-5-16(15-10)11-7-13-9-14-8-11/h3,5,7-9,12H,2,4,6H2,1H3
InChIKeyJCRUYCJNMGAVNM-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.16
Rot. Bonds5

About N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine

N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine (PubChem CID 107590369) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine
PubChem CID107590369
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC NameN-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine
SMILESCCCNCc1ccn(-c2cncnc2)n1
InChIInChI=1S/C11H15N5/c1-2-4-12-6-10-3-5-16(15-10)11-7-13-9-14-8-11/h3,5,7-9,12H,2,4,6H2,1H3
InChIKeyJCRUYCJNMGAVNM-UHFFFAOYSA-N
XLogP1.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1-pyrimidin-5-ylpyrazol-3-yl)methanamine
CID 96630291
N',N'-diethyl-N-[(1-phenylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 62887436
N-[[1-(4-bromo-3-methoxyphenyl)pyrazol-3-yl]methyl]propan-1-amine
CID 107623495
N-[[1-(3-fluoro-4-nitrophenyl)pyrazol-3-yl]methyl]propan-1-amine
CID 82844452
3-methyl-N-[(1-phenylpyrazol-3-yl)methyl]butan-1-amine
CID 62887084
N-[[1-(1,3-thiazol-5-ylmethyl)pyrazol-3-yl]methyl]propan-1-amine
CID 112644586
2-methyl-N-[[1-(5-methyl-3-pyridinyl)pyrazol-3-yl]methyl]propan-1-amine
CID 107587084
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]propan-1-amine
CID 122168966
N-[[1-(2-fluoro-6-nitrophenyl)pyrazol-3-yl]methyl]propan-1-amine
CID 81311227
1-(3-methyl-4-pyridinyl)-N-[(1-phenylpyrazol-3-yl)methyl]methanamine
CID 114699258
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 103908833
4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine (CID 107590369) is N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine is CCCNCc1ccn(-c2cncnc2)n1.
What is the InChIKey of N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine?
The InChIKey is JCRUYCJNMGAVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-2-4-12-6-10-3-5-16(15-10)11-7-13-9-14-8-11/h3,5,7-9,12H,2,4,6H2,1H3.
What are the key properties of N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine?
N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine has a molecular weight of 217.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyrimidin-5-ylpyrazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 107590369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).