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

C13H17N5O — CID 56779403

IUPAC[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1cnn(CC2CCCN2C(=O)c2ccn[nH]2)c1
InChIInChI=1S/C13H17N5O/c1-10-7-15-17(8-10)9-11-3-2-6-18(11)13(19)12-4-5-14-16-12/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,14,16)
InChIKeyRHTIKHJMVMTXCA-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.22
Rot. Bonds3

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

[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 56779403) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is [2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID56779403
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1cnn(CC2CCCN2C(=O)c2ccn[nH]2)c1
InChIInChI=1S/C13H17N5O/c1-10-7-15-17(8-10)9-11-3-2-6-18(11)13(19)12-4-5-14-16-12/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,14,16)
InChIKeyRHTIKHJMVMTXCA-UHFFFAOYSA-N
XLogP1.22
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 56779357
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 95604019
(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607665
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95605676
(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607677
2H-benzotriazol-5-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95349539
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[1-(pyridin-4-ylmethyl)pyrrol-2-yl]methanone
CID 95605825
2-methyl-6-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 95605633
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 95605583
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 95605722
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95350732
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95352842

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 56779403) is [2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is Cc1cnn(CC2CCCN2C(=O)c2ccn[nH]2)c1.
What is the InChIKey of [2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is RHTIKHJMVMTXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-7-15-17(8-10)9-11-3-2-6-18(11)13(19)12-4-5-14-16-12/h4-5,7-8,11H,2-3,6,9H2,1H3,(H,14,16).
What are the key properties of [2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 56779403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).