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

C15H17N5O2S — CID 70715083

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCc3csc(N)n3)n[nH]2)o1
InChIInChI=1S/C15H17N5O2S/c1-9-4-5-13(22-9)11-7-12(20-19-11)14(21)17-6-2-3-10-8-23-15(16)18-10/h4-5,7-8H,2-3,6H2,1H3,(H2,16,18)(H,17,21)(H,19,20)
InChIKeyZDDMPEZPEOBCNN-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.38
Rot. Bonds6

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

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 70715083) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID70715083
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCCc3csc(N)n3)n[nH]2)o1
InChIInChI=1S/C15H17N5O2S/c1-9-4-5-13(22-9)11-7-12(20-19-11)14(21)17-6-2-3-10-8-23-15(16)18-10/h4-5,7-8H,2-3,6H2,1H3,(H2,16,18)(H,17,21)(H,19,20)
InChIKeyZDDMPEZPEOBCNN-UHFFFAOYSA-N
XLogP2.38
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70715052
5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
5-(5-methylfuran-2-yl)-N-(2-propylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 70788324
5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 118780006
5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 112828757
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 70776210
N-[2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)ethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70748250
N-[(2R)-2-(ethylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 120652895

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide (CID 70715083) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCCc3csc(N)n3)n[nH]2)o1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is ZDDMPEZPEOBCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9-4-5-13(22-9)11-7-12(20-19-11)14(21)17-6-2-3-10-8-23-15(16)18-10/h4-5,7-8H,2-3,6H2,1H3,(H2,16,18)(H,17,21)(H,19,20).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.38, 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]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70715083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).