N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide

C14H26N6O — CID 76952340

IUPACN'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide
SMILESCc1nn(C)c(N(C)CC2CCN(C)CC2)c1C(N)=NO
InChIInChI=1S/C14H26N6O/c1-10-12(13(15)17-21)14(20(4)16-10)19(3)9-11-5-7-18(2)8-6-11/h11,21H,5-9H2,1-4H3,(H2,15,17)
InChIKeyKZLRQVQBKSCTJW-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.60
Rot. Bonds4

About N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide

N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide (PubChem CID 76952340) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide
PubChem CID76952340
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC NameN'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide
SMILESCc1nn(C)c(N(C)CC2CCN(C)CC2)c1C(N)=NO
InChIInChI=1S/C14H26N6O/c1-10-12(13(15)17-21)14(20(4)16-10)19(3)9-11-5-7-18(2)8-6-11/h11,21H,5-9H2,1-4H3,(H2,15,17)
InChIKeyKZLRQVQBKSCTJW-UHFFFAOYSA-N
XLogP0.60
TPSA82.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N'-hydroxy-1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carboximidamide
CID 76952151
5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951980
4-(ethylaminomethyl)-N,1,3-trimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-5-amine
CID 63236600
1,3-dimethyl-5-[methyl(piperidin-4-ylmethyl)amino]pyrazole-4-carboxamide
CID 79719369
4-(aminomethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63274020
5-[benzyl(methyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952062
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63782929
5-[bis(2-methylpropyl)amino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951942
5-N,1-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]-3-propylpyrazole-4,5-diamine
CID 66018897
1-ethyl-5-N,3-dimethyl-5-N-[(1-methylpiperidin-4-yl)methyl]pyrazole-4,5-diamine
CID 66011883
N'-hydroxy-1,3-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]pyrazole-4-carboximidamide
CID 76951971
N'-hydroxy-1,3-dimethyl-5-[methyl(thiophen-3-ylmethyl)amino]pyrazole-4-carboximidamide
CID 76952064

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide?
The IUPAC name of N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide (CID 76952340) is N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide is Cc1nn(C)c(N(C)CC2CCN(C)CC2)c1C(N)=NO.
What is the InChIKey of N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide?
The InChIKey is KZLRQVQBKSCTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-10-12(13(15)17-21)14(20(4)16-10)19(3)9-11-5-7-18(2)8-6-11/h11,21H,5-9H2,1-4H3,(H2,15,17).
What are the key properties of N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide?
N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide has a molecular weight of 294.40 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1,3-dimethyl-5-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]pyrazole-4-carboximidamide is sourced from PubChem (CID 76952340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).