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

C11H17N5 — CID 43749413

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1[nH]ncc1CNC(C)Cn1cccn1
InChIInChI=1S/C11H17N5/c1-9(8-16-5-3-4-14-16)12-6-11-7-13-15-10(11)2/h3-5,7,9,12H,6,8H2,1-2H3,(H,13,15)
InChIKeyLTJMABAOHZRTMN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.09
Rot. Bonds5

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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43749413) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID43749413
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCc1[nH]ncc1CNC(C)Cn1cccn1
InChIInChI=1S/C11H17N5/c1-9(8-16-5-3-4-14-16)12-6-11-7-13-15-10(11)2/h3-5,7,9,12H,6,8H2,1-2H3,(H,13,15)
InChIKeyLTJMABAOHZRTMN-UHFFFAOYSA-N
XLogP1.09
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.09
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]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 43749413) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is Cc1[nH]ncc1CNC(C)Cn1cccn1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is LTJMABAOHZRTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9(8-16-5-3-4-14-16)12-6-11-7-13-15-10(11)2/h3-5,7,9,12H,6,8H2,1-2H3,(H,13,15).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.09, 5 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]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43749413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).