1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine

C16H24N4O — CID 66415350

IUPAC1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
SMILESCCCn1ccc(CNc2cnn(CC3CCCO3)c2)c1
InChIInChI=1S/C16H24N4O/c1-2-6-19-7-5-14(11-19)9-17-15-10-18-20(12-15)13-16-4-3-8-21-16/h5,7,10-12,16-17H,2-4,6,8-9,13H2,1H3
InChIKeyIZFGIMOMLYECEC-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.89
Rot. Bonds7

About 1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine

1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine (PubChem CID 66415350) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
PubChem CID66415350
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Name1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine
SMILESCCCn1ccc(CNc2cnn(CC3CCCO3)c2)c1
InChIInChI=1S/C16H24N4O/c1-2-6-19-7-5-14(11-19)9-17-15-10-18-20(12-15)13-16-4-3-8-21-16/h5,7,10-12,16-17H,2-4,6,8-9,13H2,1H3
InChIKeyIZFGIMOMLYECEC-UHFFFAOYSA-N
XLogP2.89
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine (CID 66415350) is 1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine is CCCn1ccc(CNc2cnn(CC3CCCO3)c2)c1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine?
The InChIKey is IZFGIMOMLYECEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-2-6-19-7-5-14(11-19)9-17-15-10-18-20(12-15)13-16-4-3-8-21-16/h5,7,10-12,16-17H,2-4,6,8-9,13H2,1H3.
What are the key properties of 1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine?
1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine has a molecular weight of 288.40 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-N-[(1-propylpyrrol-3-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 66415350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).