(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

C12H15N5O — CID 95841745

IUPAC(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CC[C@H](c3ccn[nH]3)C2)n1
InChIInChI=1S/C12H15N5O/c1-16-6-4-11(15-16)12(18)17-7-3-9(8-17)10-2-5-13-14-10/h2,4-6,9H,3,7-8H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyWDVCQTSMHJAVAW-VIFPVBQESA-N
MW245.29 g/mol
LogP0.77
Rot. Bonds2

About (1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 95841745) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID95841745
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCn1ccc(C(=O)N2CC[C@H](c3ccn[nH]3)C2)n1
InChIInChI=1S/C12H15N5O/c1-16-6-4-11(15-16)12(18)17-7-3-9(8-17)10-2-5-13-14-10/h2,4-6,9H,3,7-8H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyWDVCQTSMHJAVAW-VIFPVBQESA-N
XLogP0.77
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

pyrazin-2-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841608
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CID 95841606
[3-(1H-pyrazol-5-yl)piperidin-1-yl]-(2H-triazol-4-yl)methanone
CID 78917987
7-[(3S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-3-yl]-6H-1,6-naphthyridin-5-one
CID 92567095
[3-[5-(2-hydroxyethyl)-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 110270992
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
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[3-(chloromethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103122422
(1,2-dimethylindol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124992841
(3-methylazetidin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 123809651
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
(2-methylpyrazol-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110271023

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone (CID 95841745) is (1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is Cn1ccc(C(=O)N2CC[C@H](c3ccn[nH]3)C2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is WDVCQTSMHJAVAW-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N5O/c1-16-6-4-11(15-16)12(18)17-7-3-9(8-17)10-2-5-13-14-10/h2,4-6,9H,3,7-8H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone?
(1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 245.29 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95841745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).