3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide

C19H25N5O — CID 46999116

IUPAC3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide
SMILESCc1cc(CC(C)NCc2cn(CCC(N)=O)c3ccccc23)n[nH]1
InChIInChI=1S/C19H25N5O/c1-13(9-16-10-14(2)22-23-16)21-11-15-12-24(8-7-19(20)25)18-6-4-3-5-17(15)18/h3-6,10,12-13,21H,7-9,11H2,1-2H3,(H2,20,25)(H,22,23)
InChIKeyBAHSHXRAGASVHN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.27
Rot. Bonds8

About 3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide

3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide (PubChem CID 46999116) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide
PubChem CID46999116
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide
SMILESCc1cc(CC(C)NCc2cn(CCC(N)=O)c3ccccc23)n[nH]1
InChIInChI=1S/C19H25N5O/c1-13(9-16-10-14(2)22-23-16)21-11-15-12-24(8-7-19(20)25)18-6-4-3-5-17(15)18/h3-6,10,12-13,21H,7-9,11H2,1-2H3,(H2,20,25)(H,22,23)
InChIKeyBAHSHXRAGASVHN-UHFFFAOYSA-N
XLogP2.27
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide?
The IUPAC name of 3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide (CID 46999116) is 3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide?
The canonical SMILES for 3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide is Cc1cc(CC(C)NCc2cn(CCC(N)=O)c3ccccc23)n[nH]1.
What is the InChIKey of 3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide?
The InChIKey is BAHSHXRAGASVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(9-16-10-14(2)22-23-16)21-11-15-12-24(8-7-19(20)25)18-6-4-3-5-17(15)18/h3-6,10,12-13,21H,7-9,11H2,1-2H3,(H2,20,25)(H,22,23).
What are the key properties of 3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide?
3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide has a molecular weight of 339.44 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[1-(5-methyl-1H-pyrazol-3-yl)propan-2-ylamino]methyl]indol-1-yl]propanamide is sourced from PubChem (CID 46999116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).