N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline

C14H15N5 — CID 166377177

IUPACN-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline
SMILESCn1cc(-c2[nH]ncc2CNc2ccccc2)cn1
InChIInChI=1S/C14H15N5/c1-19-10-12(9-17-19)14-11(8-16-18-14)7-15-13-5-3-2-4-6-13/h2-6,8-10,15H,7H2,1H3,(H,16,18)
InChIKeyRKRIJRZKVMCQMO-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.42
Rot. Bonds4

About N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline

N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline (PubChem CID 166377177) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline
PubChem CID166377177
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline
SMILESCn1cc(-c2[nH]ncc2CNc2ccccc2)cn1
InChIInChI=1S/C14H15N5/c1-19-10-12(9-17-19)14-11(8-16-18-14)7-15-13-5-3-2-4-6-13/h2-6,8-10,15H,7H2,1H3,(H,16,18)
InChIKeyRKRIJRZKVMCQMO-UHFFFAOYSA-N
XLogP2.42
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline?
The IUPAC name of N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline (CID 166377177) is N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline.
What is the SMILES notation for N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline?
The canonical SMILES for N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline is Cn1cc(-c2[nH]ncc2CNc2ccccc2)cn1.
What is the InChIKey of N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline?
The InChIKey is RKRIJRZKVMCQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-19-10-12(9-17-19)14-11(8-16-18-14)7-15-13-5-3-2-4-6-13/h2-6,8-10,15H,7H2,1H3,(H,16,18).
What are the key properties of N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline?
N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline has a molecular weight of 253.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-methylpyrazol-4-yl)-1H-pyrazol-4-yl]methyl]aniline is sourced from PubChem (CID 166377177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).