N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine

C11H17N5 — CID 106759036

IUPACN-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn[nH]c1-c1ccnn1C
InChIInChI=1S/C11H17N5/c1-8(2)12-6-9-7-13-15-11(9)10-4-5-14-16(10)3/h4-5,7-8,12H,6H2,1-3H3,(H,13,15)
InChIKeyIZFSQFDNKMCQAN-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.31
Rot. Bonds4

About N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine

N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 106759036) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
PubChem CID106759036
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn[nH]c1-c1ccnn1C
InChIInChI=1S/C11H17N5/c1-8(2)12-6-9-7-13-15-11(9)10-4-5-14-16(10)3/h4-5,7-8,12H,6H2,1-3H3,(H,13,15)
InChIKeyIZFSQFDNKMCQAN-UHFFFAOYSA-N
XLogP1.31
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(4-iodophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 114083286
N-[[2-fluoro-5-(2-methylpyrazol-3-yl)phenyl]methyl]propan-2-amine
CID 63962668
3-(3-but-3-ynyldiazirin-3-yl)-N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propanamide
CID 166423372
N-[[5-(2-methylpyrazol-3-yl)furan-2-yl]methyl]propan-2-amine
CID 106887263
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484672
5-(2-methylpyrazol-3-yl)-1H-pyrazole-4-carbaldehyde
CID 106758341
N-[[5-(2-methyl-5-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484505
(2R,3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276405
N-[[5-(4-methyl-3-nitrophenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485569
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485412
1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43766878
N-[[5-(1-benzothiophen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 114911343

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine (CID 106759036) is N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn[nH]c1-c1ccnn1C.
What is the InChIKey of N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is IZFSQFDNKMCQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-8(2)12-6-9-7-13-15-11(9)10-4-5-14-16(10)3/h4-5,7-8,12H,6H2,1-3H3,(H,13,15).
What are the key properties of N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpyrazol-3-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106759036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).