N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide

C11H19N5O2 — CID 47200160

IUPACN-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide
SMILESCCn1cc(NC(=O)NCCCNC(C)=O)cn1
InChIInChI=1S/C11H19N5O2/c1-3-16-8-10(7-14-16)15-11(18)13-6-4-5-12-9(2)17/h7-8H,3-6H2,1-2H3,(H,12,17)(H2,13,15,18)
InChIKeyZHJOOTWYGMBBKO-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.55
Rot. Bonds6

About N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide

N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide (PubChem CID 47200160) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide
PubChem CID47200160
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide
SMILESCCn1cc(NC(=O)NCCCNC(C)=O)cn1
InChIInChI=1S/C11H19N5O2/c1-3-16-8-10(7-14-16)15-11(18)13-6-4-5-12-9(2)17/h7-8H,3-6H2,1-2H3,(H,12,17)(H2,13,15,18)
InChIKeyZHJOOTWYGMBBKO-UHFFFAOYSA-N
XLogP0.55
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-1H-pyrazol-1-yl)-N-methylacetamide
CID 28065173
2-(4-amino-1H-pyrazol-1-yl)acetamide
CID 28373947
2-(4-amino-1H-pyrazol-1-yl)-N-cyclopropylacetamide
CID 28373958
2-(4-amino-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 28280666
2-(4-amino-1H-pyrazol-1-yl)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 28379290
1-(1-Methyl-1H-pyrazol-4-yl)-2-piperazinone
CID 64263444
tert-butyl (2-(4-amino-1H-pyrazol-1-yl)ethyl)carbamate
CID 70984316
tert-butyl (3-(4-amino-1H-pyrazol-1-yl)propyl)carbamate
CID 84728083
1-(1-Ethylpyrazol-4-yl)-3-(2-hydroxypropyl)urea
CID 47200192
1-Ethyl-1-(2-hydroxypropyl)-3-[1-(2-methoxyethyl)pyrazol-4-yl]urea
CID 51093544
1-(1-Ethylpyrazol-4-yl)-3-[2-(2-oxoazepan-1-yl)ethyl]urea
CID 53500631
1-[2-(4-Ethylpiperazin-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53502914

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide?
The IUPAC name of N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide (CID 47200160) is N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide.
What is the SMILES notation for N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide?
The canonical SMILES for N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide is CCn1cc(NC(=O)NCCCNC(C)=O)cn1.
What is the InChIKey of N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide?
The InChIKey is ZHJOOTWYGMBBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-16-8-10(7-14-16)15-11(18)13-6-4-5-12-9(2)17/h7-8H,3-6H2,1-2H3,(H,12,17)(H2,13,15,18).
What are the key properties of N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide?
N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide has a molecular weight of 253.31 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-ethylpyrazol-4-yl)carbamoylamino]propyl]acetamide is sourced from PubChem (CID 47200160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).