(3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone

C14H23N3O2 — CID 16925481

IUPAC(3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCCCOc1nn(CCC)cc1C(=O)N1CCCC1
InChIInChI=1S/C14H23N3O2/c1-3-7-17-11-12(13(15-17)19-10-4-2)14(18)16-8-5-6-9-16/h11H,3-10H2,1-2H3
InChIKeyLPINKAHPCZBXNB-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.32
Rot. Bonds6

About (3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone

(3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone (PubChem CID 16925481) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
PubChem CID16925481
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone
SMILESCCCOc1nn(CCC)cc1C(=O)N1CCCC1
InChIInChI=1S/C14H23N3O2/c1-3-7-17-11-12(13(15-17)19-10-4-2)14(18)16-8-5-6-9-16/h11H,3-10H2,1-2H3
InChIKeyLPINKAHPCZBXNB-UHFFFAOYSA-N
XLogP2.32
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-1-methyl-1H-pyrazol-4-yl)(4-methylpiperidin-1-yl)methanone
CID 16925246
N,N-dimethyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
CID 71789423
3-methoxy-1-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 71796128
N-Ethyl-3-methoxy-1-methyl-N-propyl-1H-pyrazole-4-carboxamide
CID 45097881
N-ethyl-1-methyl-3-(prop-2-yn-1-yloxy)-N-propyl-1H-pyrazole-4-carboxamide
CID 76334034
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(piperidin-1-yl)methanone
CID 71789424
(3-methoxy-1-methyl-1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 16925244
3-methoxy-N-(2-methoxyethyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 16925263
N-cyclopentyl-3-methoxy-1-methyl-1H-pyrazole-4-carboxamide
CID 16925267
(3-ethoxy-1-ethyl-1H-pyrazol-4-yl)(morpholino)methanone
CID 16925364
N-cyclohexyl-3-ethoxy-1-ethyl-1H-pyrazole-4-carboxamide
CID 16925381
(4-methylpiperazin-1-yl)(3-propoxy-1-propyl-1H-pyrazol-4-yl)methanone
CID 16925488

Frequently Asked Questions

What is the IUPAC name of (3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone (CID 16925481) is (3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone is CCCOc1nn(CCC)cc1C(=O)N1CCCC1.
What is the InChIKey of (3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is LPINKAHPCZBXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-7-17-11-12(13(15-17)19-10-4-2)14(18)16-8-5-6-9-16/h11H,3-10H2,1-2H3.
What are the key properties of (3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone?
(3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 265.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propoxy-1-propylpyrazol-4-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 16925481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).