1-pyrazol-1-ylpropan-2-ylcyanamide

C7H10N4 — CID 62483495

IUPAC1-pyrazol-1-ylpropan-2-ylcyanamide
SMILESCC(Cn1cccn1)NC#N
InChIInChI=1S/C7H10N4/c1-7(9-6-8)5-11-4-2-3-10-11/h2-4,7,9H,5H2,1H3
InChIKeyGFEYVFBCWAJOHU-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.34
Rot. Bonds3

About 1-pyrazol-1-ylpropan-2-ylcyanamide

1-pyrazol-1-ylpropan-2-ylcyanamide (PubChem CID 62483495) has the molecular formula C7H10N4 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-pyrazol-1-ylpropan-2-ylcyanamide.

Molecular Properties

Compound Name1-pyrazol-1-ylpropan-2-ylcyanamide
PubChem CID62483495
Molecular FormulaC7H10N4
Molecular Weight150.18 g/mol
Exact Mass150.09
IUPAC Name1-pyrazol-1-ylpropan-2-ylcyanamide
SMILESCC(Cn1cccn1)NC#N
InChIInChI=1S/C7H10N4/c1-7(9-6-8)5-11-4-2-3-10-11/h2-4,7,9H,5H2,1H3
InChIKeyGFEYVFBCWAJOHU-UHFFFAOYSA-N
XLogP0.34
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
(2S)-2-[[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]methyl]pentanedinitrile
CID 95337814
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
N-(1-pyrazol-1-ylpropan-2-yl)hexan-2-amine
CID 43791834
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
3-methyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]furan-2-carboxamide
CID 38611766
2,3-difluoro-4-(1-pyrazol-1-ylpropan-2-ylamino)benzonitrile
CID 107933491
3-methyl-N-(1-pyrazol-1-ylpropan-2-yl)furan-2-carboxamide
CID 51079611
3-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 43435005
2-bromo-4-(1-pyrazol-1-ylpropan-2-ylamino)benzonitrile
CID 107276062
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
CID 61462605

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-ylpropan-2-ylcyanamide?
The IUPAC name of 1-pyrazol-1-ylpropan-2-ylcyanamide (CID 62483495) is 1-pyrazol-1-ylpropan-2-ylcyanamide.
What is the SMILES notation for 1-pyrazol-1-ylpropan-2-ylcyanamide?
The canonical SMILES for 1-pyrazol-1-ylpropan-2-ylcyanamide is CC(Cn1cccn1)NC#N.
What is the InChIKey of 1-pyrazol-1-ylpropan-2-ylcyanamide?
The InChIKey is GFEYVFBCWAJOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4/c1-7(9-6-8)5-11-4-2-3-10-11/h2-4,7,9H,5H2,1H3.
What are the key properties of 1-pyrazol-1-ylpropan-2-ylcyanamide?
1-pyrazol-1-ylpropan-2-ylcyanamide has a molecular weight of 150.18 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-ylpropan-2-ylcyanamide is sourced from PubChem (CID 62483495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).