3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide

C17H24N6O2 — CID 136529661

IUPAC3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)Nc3cnn(CC4CCCO4)c3)C2)cn1
InChIInChI=1S/C17H24N6O2/c1-21-9-14(7-18-21)13-4-5-22(10-13)17(24)20-15-8-19-23(11-15)12-16-3-2-6-25-16/h7-9,11,13,16H,2-6,10,12H2,1H3,(H,20,24)
InChIKeyOJYABYOWHIQSCR-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.82
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide

3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (PubChem CID 136529661) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
PubChem CID136529661
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCn1cc(C2CCN(C(=O)Nc3cnn(CC4CCCO4)c3)C2)cn1
InChIInChI=1S/C17H24N6O2/c1-21-9-14(7-18-21)13-4-5-22(10-13)17(24)20-15-8-19-23(11-15)12-16-3-2-6-25-16/h7-9,11,13,16H,2-6,10,12H2,1H3,(H,20,24)
InChIKeyOJYABYOWHIQSCR-UHFFFAOYSA-N
XLogP1.82
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]piperazine-1-carboxamide
CID 121145358
(3S)-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 96567739
4-(3-hydroxypropyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 154752369
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]-8-azaspiro[4.5]decane-8-carboxamide
CID 95899494
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
N-[(2-methylphenyl)methyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539643
methyl 5-[[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pyridine-3-carboxylate
CID 124615102
1-[2-(4-methylpiperidin-1-yl)ethyl]-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136578353
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (CID 136529661) is 3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is Cn1cc(C2CCN(C(=O)Nc3cnn(CC4CCCO4)c3)C2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is OJYABYOWHIQSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21-9-14(7-18-21)13-4-5-22(10-13)17(24)20-15-8-19-23(11-15)12-16-3-2-6-25-16/h7-9,11,13,16H,2-6,10,12H2,1H3,(H,20,24).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136529661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).