2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C12H21N5O — CID 112670057

IUPAC2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCc1nn(C)cc1CNCC1(C/C(N)=N/O)CC1
InChIInChI=1S/C12H21N5O/c1-9-10(7-17(2)15-9)6-14-8-12(3-4-12)5-11(13)16-18/h7,14,18H,3-6,8H2,1-2H3,(H2,13,16)
InChIKeyWEESFDVZWRVPTP-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.73
Rot. Bonds6

About 2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 112670057) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID112670057
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCc1nn(C)cc1CNCC1(C/C(N)=N/O)CC1
InChIInChI=1S/C12H21N5O/c1-9-10(7-17(2)15-9)6-14-8-12(3-4-12)5-11(13)16-18/h7,14,18H,3-6,8H2,1-2H3,(H2,13,16)
InChIKeyWEESFDVZWRVPTP-UHFFFAOYSA-N
XLogP0.73
TPSA88.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-((1,3-dimethyl-1H-pyrazol-4-yl)methyl)cyclopropanamine
CID 25220769
(3-methyl-1-pentyl-1H-pyrazol-4-yl)methanamine
CID 64450211
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethylamine
CID 16394859
N'-hydroxy-2-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]cyclopropyl]ethanimidamide
CID 77071183
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370115
2-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370116
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 106033812
N-[(1-Ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-ethanamine
CID 7018574
N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 60023688
N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 64457385
N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 73713269
[(1,5-Dimethyl-1H-pyrazol-4-yl)methyl](pentyl)amine
CID 75356254

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 112670057) is 2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is Cc1nn(C)cc1CNCC1(C/C(N)=N/O)CC1.
What is the InChIKey of 2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is WEESFDVZWRVPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-10(7-17(2)15-9)6-14-8-12(3-4-12)5-11(13)16-18/h7,14,18H,3-6,8H2,1-2H3,(H2,13,16).
What are the key properties of 2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 251.33 g/mol, XLogP of 0.73, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1,3-dimethylpyrazol-4-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 112670057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).