N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide

C11H19N5O2 — CID 112686898

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide
SMILESCC(NC(N)=O)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H19N5O2/c1-6(13-10(12)18)9(17)14-8-5-7(15-16-8)11(2,3)4/h5-6H,1-4H3,(H3,12,13,18)(H2,14,15,16,17)
InChIKeyGODVTZSTSWQULZ-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.70
Rot. Bonds3

About N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide (PubChem CID 112686898) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide
PubChem CID112686898
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide
SMILESCC(NC(N)=O)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C11H19N5O2/c1-6(13-10(12)18)9(17)14-8-5-7(15-16-8)11(2,3)4/h5-6H,1-4H3,(H3,12,13,18)(H2,14,15,16,17)
InChIKeyGODVTZSTSWQULZ-UHFFFAOYSA-N
XLogP0.70
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 95294416
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide
CID 104618654
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 82110660
N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47067682
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[(2S)-2-cyclohexyl-2-hydroxyacetyl]amino]propanamide
CID 142992313
benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide
CID 68895013
2-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)butanediamide
CID 112639590
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433621
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433629

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide (CID 112686898) is N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide is CC(NC(N)=O)C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide?
The InChIKey is GODVTZSTSWQULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-6(13-10(12)18)9(17)14-8-5-7(15-16-8)11(2,3)4/h5-6H,1-4H3,(H3,12,13,18)(H2,14,15,16,17).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide has a molecular weight of 253.31 g/mol, XLogP of 0.70, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide is sourced from PubChem (CID 112686898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).