N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide

C10H14N4O — CID 103758646

IUPACN-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide
SMILESCC(C)N(CC#N)C(=O)Cn1cccn1
InChIInChI=1S/C10H14N4O/c1-9(2)14(7-4-11)10(15)8-13-6-3-5-12-13/h3,5-6,9H,7-8H2,1-2H3
InChIKeyRXLOALORWSNSGA-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.64
Rot. Bonds4

About N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide

N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide (PubChem CID 103758646) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide
PubChem CID103758646
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC NameN-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide
SMILESCC(C)N(CC#N)C(=O)Cn1cccn1
InChIInChI=1S/C10H14N4O/c1-9(2)14(7-4-11)10(15)8-13-6-3-5-12-13/h3,5-6,9H,7-8H2,1-2H3
InChIKeyRXLOALORWSNSGA-UHFFFAOYSA-N
XLogP0.64
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propan-2-yl-2-pyrazol-1-yl-N-(pyridin-2-ylmethyl)acetamide
CID 51088398
N-phenyl-N-propan-2-yl-2-pyrazol-1-ylacetamide
CID 60549343
N-(piperidin-3-ylmethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide
CID 106629183
3-methyl-1-pyrazol-1-ylbutan-2-one
CID 59531413
ethane;1-pyrazol-1-ylpropan-2-one
CID 143096298
N,N-bis(cyanomethyl)-3-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95326358
(2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 95611983
(2R)-N-(2-cyanoethyl)-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 95611982
N-(2-methoxyethyl)-N-methyl-2-pyrazol-1-ylacetamide
CID 91211379
N,N-di(propan-2-yl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 90495302
N-ethoxy-2-pyrazol-1-ylacetamide
CID 60700858
N-(1-cyanocyclohexyl)-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]acetamide
CID 95278227

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide (CID 103758646) is N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide is CC(C)N(CC#N)C(=O)Cn1cccn1.
What is the InChIKey of N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide?
The InChIKey is RXLOALORWSNSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-9(2)14(7-4-11)10(15)8-13-6-3-5-12-13/h3,5-6,9H,7-8H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide?
N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide has a molecular weight of 206.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-propan-2-yl-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 103758646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).