N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine

C15H15N5 — CID 133327133

IUPACN-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H15N5/c1-12(19-15-16-8-2-9-17-15)13-4-6-14(7-5-13)20-11-3-10-18-20/h2-12H,1H3,(H,16,17,19)
InChIKeyCXWJODZPWSHDNY-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.84
Rot. Bonds4

About N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine

N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine (PubChem CID 133327133) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine
PubChem CID133327133
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC NameN-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncccn1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C15H15N5/c1-12(19-15-16-8-2-9-17-15)13-4-6-14(7-5-13)20-11-3-10-18-20/h2-12H,1H3,(H,16,17,19)
InChIKeyCXWJODZPWSHDNY-UHFFFAOYSA-N
XLogP2.84
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyridin-2-amine
CID 133327058
N-[1-(4-pyrazol-1-ylphenyl)ethyl]quinolin-2-amine
CID 133327159
N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 133327160
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
CID 120501837
2-methylsulfanyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 133327049
N-[1-(4-pyrazol-1-ylphenyl)ethyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133327165
N-prop-2-ynyl-6-[1-(4-pyrazol-1-ylphenyl)ethylamino]pyridine-3-carboxamide
CID 133327135
3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
6-tert-butyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133327141
1-(4-pyrazol-1-ylphenyl)propan-1-amine
CID 103693301
N-(5-methylhexan-2-yl)-4-pyrazol-1-ylaniline
CID 43688218
(1S)-N-[(1-propan-2-yltetrazol-5-yl)methyl]-1-(4-pyrazol-1-ylphenyl)ethanamine
CID 97334617

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine (CID 133327133) is N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine is CC(Nc1ncccn1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine?
The InChIKey is CXWJODZPWSHDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-12(19-15-16-8-2-9-17-15)13-4-6-14(7-5-13)20-11-3-10-18-20/h2-12H,1H3,(H,16,17,19).
What are the key properties of N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine?
N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-pyrazol-1-ylphenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 133327133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).