1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

C10H15N5O2 — CID 114159621

IUPAC1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=NO)CC1)c1cn[nH]c1
InChIInChI=1S/C10H15N5O2/c1-6(7-4-12-13-5-7)14-9(16)10(2-3-10)8(11)15-17/h4-6,17H,2-3H2,1H3,(H2,11,15)(H,12,13)(H,14,16)
InChIKeyUTBFEPSHZBTVAP-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.11
Rot. Bonds4

About 1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 114159621) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID114159621
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1(C(N)=NO)CC1)c1cn[nH]c1
InChIInChI=1S/C10H15N5O2/c1-6(7-4-12-13-5-7)14-9(16)10(2-3-10)8(11)15-17/h4-6,17H,2-3H2,1H3,(H2,11,15)(H,12,13)(H,14,16)
InChIKeyUTBFEPSHZBTVAP-UHFFFAOYSA-N
XLogP0.11
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 106212912
1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 114158937
1-(N'-hydroxycarbamimidoyl)-N-(1H-pyrazol-4-ylmethyl)cyclopropane-1-carboxamide
CID 80596873
1-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 103856241
1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 80597791
N-[1-(3-bromophenyl)ethyl]-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
CID 80597244
1-(aminomethyl)-3-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 106217378
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(1-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 80597057
1-(N'-hydroxycarbamimidoyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 77045292
3-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212688
4-[1-(1H-pyrazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114159493
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726

Frequently Asked Questions

What is the IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (CID 114159621) is 1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1(C(N)=NO)CC1)c1cn[nH]c1.
What is the InChIKey of 1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is UTBFEPSHZBTVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6(7-4-12-13-5-7)14-9(16)10(2-3-10)8(11)15-17/h4-6,17H,2-3H2,1H3,(H2,11,15)(H,12,13)(H,14,16).
What are the key properties of 1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N'-hydroxycarbamimidoyl)-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 114159621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).