N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine

C14H15N5 — CID 54896941

IUPACN-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
SMILESc1ccc(-n2cc(CNCc3cn[nH]c3)cn2)cc1
InChIInChI=1S/C14H15N5/c1-2-4-14(5-3-1)19-11-13(10-18-19)7-15-6-12-8-16-17-9-12/h1-5,8-11,15H,6-7H2,(H,16,17)
InChIKeyQXXRLLKQGBGJJQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.89
Rot. Bonds5

About N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine

N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine (PubChem CID 54896941) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
PubChem CID54896941
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
SMILESc1ccc(-n2cc(CNCc3cn[nH]c3)cn2)cc1
InChIInChI=1S/C14H15N5/c1-2-4-14(5-3-1)19-11-13(10-18-19)7-15-6-12-8-16-17-9-12/h1-5,8-11,15H,6-7H2,(H,16,17)
InChIKeyQXXRLLKQGBGJJQ-UHFFFAOYSA-N
XLogP1.89
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 60668857
1-(3-methylphenyl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 28663771
2-ethoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43590778
N',N'-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 16773449
N-[(4-methyl-3-pyridinyl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 114954910
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(1-phenylpyrazol-4-yl)methanamine
CID 112727546
2-butoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 61169682
N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103746202
2-ethyl-2-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-1-amine
CID 103702185
1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932266
2-(2-fluorophenyl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43824526
1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60976579

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine (CID 54896941) is N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine is c1ccc(-n2cc(CNCc3cn[nH]c3)cn2)cc1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
The InChIKey is QXXRLLKQGBGJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-2-4-14(5-3-1)19-11-13(10-18-19)7-15-6-12-8-16-17-9-12/h1-5,8-11,15H,6-7H2,(H,16,17).
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine has a molecular weight of 253.31 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 54896941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).