(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone

C19H29N5O — CID 124992904

IUPAC(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCCCn1nc(C)c(C(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)c1C
InChIInChI=1S/C19H29N5O/c1-5-8-24-15(4)18(14(3)22-24)19(25)23-9-6-7-16(12-23)10-17-13(2)11-20-21-17/h11,16H,5-10,12H2,1-4H3,(H,20,21)/t16-/m1/s1
InChIKeyPTYUYZKSFUDULM-MRXNPFEDSA-N
MW343.48 g/mol
LogP3.04
Rot. Bonds5

About (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone

(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 124992904) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID124992904
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCCCn1nc(C)c(C(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)c1C
InChIInChI=1S/C19H29N5O/c1-5-8-24-15(4)18(14(3)22-24)19(25)23-9-6-7-16(12-23)10-17-13(2)11-20-21-17/h11,16H,5-10,12H2,1-4H3,(H,20,21)/t16-/m1/s1
InChIKeyPTYUYZKSFUDULM-MRXNPFEDSA-N
XLogP3.04
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(3-aminopiperidin-1-yl)-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone
CID 119381314
(3,5-dimethyl-1-propylpyrazol-4-yl)-[3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 127246392
1,3-dimethyl-6-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidine-1-carbonyl]pyrimidine-2,4-dione
CID 125015096
(5-methylpyrazin-2-yl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106565
(5-methylpyrazin-2-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124970869
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 125002143
[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 124961599
2-cyclopropyl-1-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]ethanone
CID 125011292
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dimethyl-1-propylpyrazol-4-yl)methanone;hydrochloride
CID 119413051
(1-ethylpyrazol-4-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124955870
2,3-dihydro-1H-inden-5-yl-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 125023698
isoquinolin-1-yl-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106635

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone (CID 124992904) is (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone is CCCn1nc(C)c(C(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)c1C.
What is the InChIKey of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is PTYUYZKSFUDULM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H29N5O/c1-5-8-24-15(4)18(14(3)22-24)19(25)23-9-6-7-16(12-23)10-17-13(2)11-20-21-17/h11,16H,5-10,12H2,1-4H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone?
(3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 343.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-propylpyrazol-4-yl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124992904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).