5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide

C13H15N5O2S — CID 50955525

IUPAC5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide
SMILESO=C(CCNC(=O)c1cc(C2CC2)[nH]n1)Nc1nccs1
InChIInChI=1S/C13H15N5O2S/c19-11(16-13-15-5-6-21-13)3-4-14-12(20)10-7-9(17-18-10)8-1-2-8/h5-8H,1-4H2,(H,14,20)(H,17,18)(H,15,16,19)
InChIKeyJIHHAIBHWZZJCW-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.50
Rot. Bonds6

About 5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide (PubChem CID 50955525) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide
PubChem CID50955525
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide
SMILESO=C(CCNC(=O)c1cc(C2CC2)[nH]n1)Nc1nccs1
InChIInChI=1S/C13H15N5O2S/c19-11(16-13-15-5-6-21-13)3-4-14-12(20)10-7-9(17-18-10)8-1-2-8/h5-8H,1-4H2,(H,14,20)(H,17,18)(H,15,16,19)
InChIKeyJIHHAIBHWZZJCW-UHFFFAOYSA-N
XLogP1.50
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60524677
5-cyclopropyl-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119500515
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
CID 8762604
N-(3-aminobutyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119495448
5-cyclopropyl-N-[2-(dimethylsulfamoylamino)ethyl]-1H-pyrazole-3-carboxamide
CID 138042156
3-[(1,1-dioxothiolan-3-yl)carbamoylamino]-N-(1,3-thiazol-2-yl)propanamide
CID 42654385
3-piperidin-4-yl-N-(1,3-thiazol-2-yl)propanamide
CID 62212222
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
CID 60573098
5-cyclopropyl-N-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethyl]-1H-pyrazole-3-carboxamide
CID 119065218

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide (CID 50955525) is 5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide is O=C(CCNC(=O)c1cc(C2CC2)[nH]n1)Nc1nccs1.
What is the InChIKey of 5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide?
The InChIKey is JIHHAIBHWZZJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c19-11(16-13-15-5-6-21-13)3-4-14-12(20)10-7-9(17-18-10)8-1-2-8/h5-8H,1-4H2,(H,14,20)(H,17,18)(H,15,16,19).
What are the key properties of 5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 305.36 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 50955525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).