(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C14H19N5O — CID 110259105

IUPAC(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCCn1cc(C(=O)N2CCCC2c2ccn[nH]2)cn1
InChIInChI=1S/C14H19N5O/c1-2-7-18-10-11(9-16-18)14(20)19-8-3-4-13(19)12-5-6-15-17-12/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyWRUAHCMFKWPUJC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.99
Rot. Bonds4

About (1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 110259105) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID110259105
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCCCn1cc(C(=O)N2CCCC2c2ccn[nH]2)cn1
InChIInChI=1S/C14H19N5O/c1-2-7-18-10-11(9-16-18)14(20)19-8-3-4-13(19)12-5-6-15-17-12/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,15,17)
InChIKeyWRUAHCMFKWPUJC-UHFFFAOYSA-N
XLogP1.99
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylpyrazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124962888
N,N-diethyl-5-[(2R)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967626
N,N-diethyl-5-[(2S)-1-(1-propylpyrazole-4-carbonyl)piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 124967625
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124944774
[(2S)-oxolan-2-yl]-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95821620
3,3-dimethyl-1-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 95821595
1-[5-[(2R)-2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]thiophen-3-yl]ethanone
CID 99801050
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125002293
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
cis-(1R,3S)-2,2-dimethyl-3-[2-(1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 122066333
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 110106183
(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of (1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 110259105) is (1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is CCCn1cc(C(=O)N2CCCC2c2ccn[nH]2)cn1.
What is the InChIKey of (1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WRUAHCMFKWPUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-7-18-10-11(9-16-18)14(20)19-8-3-4-13(19)12-5-6-15-17-12/h5-6,9-10,13H,2-4,7-8H2,1H3,(H,15,17).
What are the key properties of (1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 273.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylpyrazol-4-yl)-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110259105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).