1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine

C12H18N4 — CID 66398631

IUPAC1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
SMILESCCCn1ccc(CNc2cnn(C)c2)c1
InChIInChI=1S/C12H18N4/c1-3-5-16-6-4-11(9-16)7-13-12-8-14-15(2)10-12/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyGANVHOCZQQRSCP-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.24
Rot. Bonds5

About 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine

1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine (PubChem CID 66398631) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
PubChem CID66398631
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
SMILESCCCn1ccc(CNc2cnn(C)c2)c1
InChIInChI=1S/C12H18N4/c1-3-5-16-6-4-11(9-16)7-13-12-8-14-15(2)10-12/h4,6,8-10,13H,3,5,7H2,1-2H3
InChIKeyGANVHOCZQQRSCP-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

4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399039
1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
CID 66415350
3,5-dichloro-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399850
1-methyl-N-[(1-propylpyrrol-2-yl)methyl]pyrazol-4-amine
CID 66411903
4-propan-2-yloxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66398402
N-[(1-propylpyrrol-3-yl)methyl]-1H-indazol-6-amine
CID 66413787
2-chloro-4-[(1-propylpyrrol-3-yl)methylamino]benzonitrile
CID 66397556
2-[4-[(1-propylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 66415335
N-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-propylpyrrol-3-yl)methanamine
CID 103527603
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]-1,3-benzoxazol-5-amine
CID 66397542
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrrol-3-yl)methanamine
CID 82720010
3-chloro-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66397516

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine (CID 66398631) is 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine is CCCn1ccc(CNc2cnn(C)c2)c1.
What is the InChIKey of 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is GANVHOCZQQRSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-5-16-6-4-11(9-16)7-13-12-8-14-15(2)10-12/h4,6,8-10,13H,3,5,7H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine?
1-methyl-N-[(1-propylpyrrol-3-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-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 66398631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).