2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide

C9H14N4O — CID 104619019

IUPAC2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide
SMILESC=CCC(N)C(=O)Nc1[nH]ncc1C
InChIInChI=1S/C9H14N4O/c1-3-4-7(10)9(14)12-8-6(2)5-11-13-8/h3,5,7H,1,4,10H2,2H3,(H2,11,12,13,14)
InChIKeySRRVFXWSANPNDM-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.56
Rot. Bonds4

About 2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide

2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide (PubChem CID 104619019) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide
PubChem CID104619019
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide
SMILESC=CCC(N)C(=O)Nc1[nH]ncc1C
InChIInChI=1S/C9H14N4O/c1-3-4-7(10)9(14)12-8-6(2)5-11-13-8/h3,5,7H,1,4,10H2,2H3,(H2,11,12,13,14)
InChIKeySRRVFXWSANPNDM-UHFFFAOYSA-N
XLogP0.56
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-ethyl-1H-pyrazol-5-yl)pent-4-enamide
CID 104619246
2-amino-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104618928
2-amino-N-(5-methyl-3-pyridinyl)pent-4-enamide
CID 107585442
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 104618999
2-(methylamino)-N-(4-methyl-1H-pyrazol-5-yl)propanamide
CID 104619088
2-(aminomethyl)-4-methyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104618932
ethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
CID 115630334
3-amino-4,4-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)pentanamide
CID 104618937
N-(4-methyl-1H-pyrazol-5-yl)nonanamide
CID 112691253
4-hydroxy-N-(4-methyl-1H-pyrazol-5-yl)butanamide
CID 104621856
1-methyl-3-(4-methyl-1H-pyrazol-5-yl)urea
CID 104620558
2-amino-N-(2-chloro-5-methylphenyl)pent-4-enamide
CID 107625274

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide?
The IUPAC name of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide (CID 104619019) is 2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide.
What is the SMILES notation for 2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide?
The canonical SMILES for 2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide is C=CCC(N)C(=O)Nc1[nH]ncc1C.
What is the InChIKey of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide?
The InChIKey is SRRVFXWSANPNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-4-7(10)9(14)12-8-6(2)5-11-13-8/h3,5,7H,1,4,10H2,2H3,(H2,11,12,13,14).
What are the key properties of 2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide?
2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide has a molecular weight of 194.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methyl-1H-pyrazol-5-yl)pent-4-enamide is sourced from PubChem (CID 104619019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).