N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide

C10H17N5 — CID 111070206

IUPACN'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide
SMILESN/C(=N\Cc1ccn[nH]1)N1CCCCC1
InChIInChI=1S/C10H17N5/c11-10(15-6-2-1-3-7-15)12-8-9-4-5-13-14-9/h4-5H,1-3,6-8H2,(H2,11,12)(H,13,14)
InChIKeyRVFPHOZRFHRIQC-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.71
Rot. Bonds2

About N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide

N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide (PubChem CID 111070206) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide
PubChem CID111070206
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide
SMILESN/C(=N\Cc1ccn[nH]1)N1CCCCC1
InChIInChI=1S/C10H17N5/c11-10(15-6-2-1-3-7-15)12-8-9-4-5-13-14-9/h4-5H,1-3,6-8H2,(H2,11,12)(H,13,14)
InChIKeyRVFPHOZRFHRIQC-UHFFFAOYSA-N
XLogP0.71
TPSA70.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)-N'-(1H-pyrazol-5-ylmethyl)piperazine-1-carboximidamide
CID 111070192
N'-(pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111023397
N'-[(4-methylphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111026011
N'-[[2-(hydroxymethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111077355
N'-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidine-1-carboximidamide
CID 111814482
1-ethyl-3-(2-methyl-2-piperidin-1-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine
CID 111320616
N'-[(5-chloro-2-pyridinyl)methyl]azepane-1-carboximidamide
CID 99851350
N'-[(5-fluoro-2-pyridinyl)methyl]azepane-1-carboximidamide
CID 119164304
N'-[(6-chloro-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111041986
N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-1-carboximidamide
CID 111065308
N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111048899
1-(3-morpholin-4-ylpropyl)-2-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111070163

Frequently Asked Questions

What is the IUPAC name of N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide (CID 111070206) is N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide is N/C(=N\Cc1ccn[nH]1)N1CCCCC1.
What is the InChIKey of N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is RVFPHOZRFHRIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-10(15-6-2-1-3-7-15)12-8-9-4-5-13-14-9/h4-5H,1-3,6-8H2,(H2,11,12)(H,13,14).
What are the key properties of N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide?
N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 207.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-pyrazol-5-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111070206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).