N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide

C13H19ClN4O3 — CID 110132973

IUPACN-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide
SMILESCCCn1cc(Cl)c(C(=O)N2C[C@@H](O)[C@H](NC(C)=O)C2)n1
InChIInChI=1S/C13H19ClN4O3/c1-3-4-18-5-9(14)12(16-18)13(21)17-6-10(11(20)7-17)15-8(2)19/h5,10-11,20H,3-4,6-7H2,1-2H3,(H,15,19)/t10-,11-/m1/s1
InChIKeyBHDSBEOTCALPKF-GHMZBOCLSA-N
MW314.77 g/mol
LogP0.27
Rot. Bonds4

About N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide

N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide (PubChem CID 110132973) has the molecular formula C13H19ClN4O3 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide
PubChem CID110132973
Molecular FormulaC13H19ClN4O3
Molecular Weight314.77 g/mol
Exact Mass314.11
IUPAC NameN-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide
SMILESCCCn1cc(Cl)c(C(=O)N2C[C@@H](O)[C@H](NC(C)=O)C2)n1
InChIInChI=1S/C13H19ClN4O3/c1-3-4-18-5-9(14)12(16-18)13(21)17-6-10(11(20)7-17)15-8(2)19/h5,10-11,20H,3-4,6-7H2,1-2H3,(H,15,19)/t10-,11-/m1/s1
InChIKeyBHDSBEOTCALPKF-GHMZBOCLSA-N
XLogP0.27
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-cyclopentyl-1-methyl-1H-pyrazole-3-carboxamide
CID 891856
4-chloro-2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 6464856
4-chloro-1-methyl-N-[1-(tetrahydro-2-furanyl)ethyl]-1H-pyrazole-5-carboxamide
CID 6468313
4-chloro-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19263348
4-chloro-N-[3-(dimethylamino)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263350
4-chloro-1-ethyl-N-(2-methoxyethyl)pyrazole-3-carboxamide
CID 19263455
4-chloro-N-(3-ethoxypropyl)-1-ethylpyrazole-3-carboxamide
CID 19263505
4-chloro-N-[2-(diethylamino)ethyl]-1-ethylpyrazole-3-carboxamide
CID 19263507
4-chloro-N-[3-(diethylamino)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263508
4-chloro-1-ethyl-N-(3-hydroxypropyl)pyrazole-3-carboxamide
CID 35522414
N-(2-amino-1-methyl-2-oxoethyl)-4-chloro-N,1-diethyl-1H-pyrazole-5-carboxamide
CID 56872976
4-chloro-N-(2-methoxyethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 6464363

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide (CID 110132973) is N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide is CCCn1cc(Cl)c(C(=O)N2C[C@@H](O)[C@H](NC(C)=O)C2)n1.
What is the InChIKey of N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide?
The InChIKey is BHDSBEOTCALPKF-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19ClN4O3/c1-3-4-18-5-9(14)12(16-18)13(21)17-6-10(11(20)7-17)15-8(2)19/h5,10-11,20H,3-4,6-7H2,1-2H3,(H,15,19)/t10-,11-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide?
N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide has a molecular weight of 314.77 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide is sourced from PubChem (CID 110132973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).