N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

C15H18N6OS — CID 70783695

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NCCCc2csc(N)n2)[nH]n1
InChIInChI=1S/C15H18N6OS/c1-21-7-3-5-13(21)11-8-12(20-19-11)14(22)17-6-2-4-10-9-23-15(16)18-10/h3,5,7-9H,2,4,6H2,1H3,(H2,16,18)(H,17,22)(H,19,20)
InChIKeyIUSCNWUIOPFTLE-UHFFFAOYSA-N
MW330.42 g/mol
LogP1.82
Rot. Bonds6

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 70783695) has the molecular formula C15H18N6OS and a molecular weight of 330.42 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID70783695
Molecular FormulaC15H18N6OS
Molecular Weight330.42 g/mol
Exact Mass330.13
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCn1cccc1-c1cc(C(=O)NCCCc2csc(N)n2)[nH]n1
InChIInChI=1S/C15H18N6OS/c1-21-7-3-5-13(21)11-8-12(20-19-11)14(22)17-6-2-4-10-9-23-15(16)18-10/h3,5,7-9H,2,4,6H2,1H3,(H2,16,18)(H,17,22)(H,19,20)
InChIKeyIUSCNWUIOPFTLE-UHFFFAOYSA-N
XLogP1.82
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide (CID 70783695) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is Cn1cccc1-c1cc(C(=O)NCCCc2csc(N)n2)[nH]n1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is IUSCNWUIOPFTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS/c1-21-7-3-5-13(21)11-8-12(20-19-11)14(22)17-6-2-4-10-9-23-15(16)18-10/h3,5,7-9H,2,4,6H2,1H3,(H2,16,18)(H,17,22)(H,19,20).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 330.42 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 70783695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).