(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C19H29N5O — CID 95335291

IUPAC(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)nn1C(C)(C)C
InChIInChI=1S/C19H29N5O/c1-13(2)17-10-15(21-24(17)19(3,4)5)18(25)23-9-7-8-16(23)14-11-20-22(6)12-14/h10-13,16H,7-9H2,1-6H3/t16-/m1/s1
InChIKeyLFODUZKDZOXXCW-MRXNPFEDSA-N
MW343.48 g/mol
LogP3.47
Rot. Bonds3

About (1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95335291) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95335291
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)nn1C(C)(C)C
InChIInChI=1S/C19H29N5O/c1-13(2)17-10-15(21-24(17)19(3,4)5)18(25)23-9-7-8-16(23)14-11-20-22(6)12-14/h10-13,16H,7-9H2,1-6H3/t16-/m1/s1
InChIKeyLFODUZKDZOXXCW-MRXNPFEDSA-N
XLogP3.47
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95335291) is (1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is CC(C)c1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)nn1C(C)(C)C.
What is the InChIKey of (1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LFODUZKDZOXXCW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N5O/c1-13(2)17-10-15(21-24(17)19(3,4)5)18(25)23-9-7-8-16(23)14-11-20-22(6)12-14/h10-13,16H,7-9H2,1-6H3/t16-/m1/s1.
What are the key properties of (1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
(1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 343.48 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-tert-butyl-5-propan-2-ylpyrazol-3-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95335291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).