3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide

C10H17ClN4O2 — CID 106174614

IUPAC3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide
SMILESCCc1nn(C)c(CNCC(O)C(N)=O)c1Cl
InChIInChI=1S/C10H17ClN4O2/c1-3-6-9(11)7(15(2)14-6)4-13-5-8(16)10(12)17/h8,13,16H,3-5H2,1-2H3,(H2,12,17)
InChIKeyWIVVFFKKSMMTPH-UHFFFAOYSA-N
MW260.72 g/mol
LogP-0.43
Rot. Bonds6

About 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide

3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide (PubChem CID 106174614) has the molecular formula C10H17ClN4O2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide
PubChem CID106174614
Molecular FormulaC10H17ClN4O2
Molecular Weight260.72 g/mol
Exact Mass260.10
IUPAC Name3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide
SMILESCCc1nn(C)c(CNCC(O)C(N)=O)c1Cl
InChIInChI=1S/C10H17ClN4O2/c1-3-6-9(11)7(15(2)14-6)4-13-5-8(16)10(12)17/h8,13,16H,3-5H2,1-2H3,(H2,12,17)
InChIKeyWIVVFFKKSMMTPH-UHFFFAOYSA-N
XLogP-0.43
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
(2R)-2-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 106702822
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-(ethylamino)propan-2-one
CID 116562690
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methyl-4-(methylamino)butan-2-one
CID 116587031
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941939
methyl 2-bromo-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]propanoate
CID 103492239
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-(2-methylpropoxy)methanamine
CID 82714391
3-[(3-ethyl-1-methyl-4-nitropyrazol-5-yl)amino]-2-hydroxypropanamide
CID 106170710
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N'-hydroxyethanimidamide
CID 77103344
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylpentan-2-one
CID 116590517
methyl 2-chloro-3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]propanoate
CID 103491649
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-cyclopropylbutan-2-one
CID 114980481

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide?
The IUPAC name of 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide (CID 106174614) is 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide is CCc1nn(C)c(CNCC(O)C(N)=O)c1Cl.
What is the InChIKey of 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide?
The InChIKey is WIVVFFKKSMMTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2/c1-3-6-9(11)7(15(2)14-6)4-13-5-8(16)10(12)17/h8,13,16H,3-5H2,1-2H3,(H2,12,17).
What are the key properties of 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide?
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide has a molecular weight of 260.72 g/mol, XLogP of -0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-hydroxypropanamide is sourced from PubChem (CID 106174614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).