1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine

C12H18N4 — CID 66411903

IUPAC1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine
SMILESCCCn1cccc1CNc1cnn(C)c1
InChIInChI=1S/C12H18N4/c1-3-6-16-7-4-5-12(16)9-13-11-8-14-15(2)10-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3
InChIKeyPOKUJUROQUNPJG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.24
Rot. Bonds5

About 1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine

1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine (PubChem CID 66411903) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine
PubChem CID66411903
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine
SMILESCCCn1cccc1CNc1cnn(C)c1
InChIInChI=1S/C12H18N4/c1-3-6-16-7-4-5-12(16)9-13-11-8-14-15(2)10-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3
InChIKeyPOKUJUROQUNPJG-UHFFFAOYSA-N
XLogP2.24
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine
CID 66411904
1-methyl-N-[(3-propylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66135408
2-N,2-N-dimethyl-5-N-[(1-propylpyrrol-2-yl)methyl]pyridine-2,5-diamine
CID 66410551
1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66398631
1-ethyl-5-[(1-propylpyrrol-2-yl)methylamino]pyridin-2-one
CID 66410985
6-bromo-5-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 114050216
4-butan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66412299
4-pentyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66413662
6-imidazol-1-yl-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
CID 66410557
N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648591
3-ethynyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410687
4-(difluoromethylsulfanyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66412293

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine (CID 66411903) is 1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine is CCCn1cccc1CNc1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine?
The InChIKey is POKUJUROQUNPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-6-16-7-4-5-12(16)9-13-11-8-14-15(2)10-11/h4-5,7-8,10,13H,3,6,9H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine?
1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine has a molecular weight of 218.30 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 66411903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).