N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline

C14H15N5 — CID 43705914

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1[nH]ncc1CNc1ccccc1-n1cccn1
InChIInChI=1S/C14H15N5/c1-11-12(10-16-18-11)9-15-13-5-2-3-6-14(13)19-8-4-7-17-19/h2-8,10,15H,9H2,1H3,(H,16,18)
InChIKeyKSDLJTBCIFRPRB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.52
Rot. Bonds4

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline (PubChem CID 43705914) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
PubChem CID43705914
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline
SMILESCc1[nH]ncc1CNc1ccccc1-n1cccn1
InChIInChI=1S/C14H15N5/c1-11-12(10-16-18-11)9-15-13-5-2-3-6-14(13)19-8-4-7-17-19/h2-8,10,15H,9H2,1H3,(H,16,18)
InChIKeyKSDLJTBCIFRPRB-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline (CID 43705914) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline is Cc1[nH]ncc1CNc1ccccc1-n1cccn1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
The InChIKey is KSDLJTBCIFRPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-11-12(10-16-18-11)9-15-13-5-2-3-6-14(13)19-8-4-7-17-19/h2-8,10,15H,9H2,1H3,(H,16,18).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline has a molecular weight of 253.31 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyrazol-1-ylaniline is sourced from PubChem (CID 43705914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).