N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine

C15H14FN5 — CID 164643893

IUPACN-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine
SMILESCc1cnc(F)nc1Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H14FN5/c1-11-7-17-15(16)20-14(11)19-13-8-18-21(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19,20)
InChIKeyDQLQNVIEKHNRKR-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.91
Rot. Bonds4

About N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine

N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine (PubChem CID 164643893) has the molecular formula C15H14FN5 and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine
PubChem CID164643893
Molecular FormulaC15H14FN5
Molecular Weight283.31 g/mol
Exact Mass283.12
IUPAC NameN-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine
SMILESCc1cnc(F)nc1Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C15H14FN5/c1-11-7-17-15(16)20-14(11)19-13-8-18-21(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19,20)
InChIKeyDQLQNVIEKHNRKR-UHFFFAOYSA-N
XLogP2.91
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-benzylpyrazol-4-yl)amino]-4-methylbenzoic acid
CID 110452864
N-(1-benzylpyrazol-4-yl)pyridin-2-amine
CID 82537528
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)quinazolin-4-amine
CID 56557436
1-benzyl-N-[(2-methylphenyl)methyl]pyrazol-4-amine
CID 60931144
2-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
CID 157013114
2-[(1-benzylpyrazol-4-yl)amino]-3-fluorobenzoic acid
CID 110452897
1-benzyl-N-(2-fluoroethyl)pyrazol-4-amine
CID 130992839
N-(1-benzylpyrazol-4-yl)-2-methoxy-6-methylpyrimidin-4-amine
CID 75451950
3-[(1-benzylpyrazol-4-yl)amino]propanoic acid
CID 82539638
1-benzyl-N-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 60930766
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
1-benzyl-N-octylpyrazol-4-amine
CID 63451849

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine (CID 164643893) is N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine is Cc1cnc(F)nc1Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine?
The InChIKey is DQLQNVIEKHNRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-11-7-17-15(16)20-14(11)19-13-8-18-21(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19,20).
What are the key properties of N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine?
N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine has a molecular weight of 283.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine is sourced from PubChem (CID 164643893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).