1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone

C18H24N6O — CID 124948806

IUPAC1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC[C@@H](Cc2ccc(N3CCCC3)nn2)C1
InChIInChI=1S/C18H24N6O/c25-18(16-7-8-19-21-16)24-11-3-4-14(13-24)12-15-5-6-17(22-20-15)23-9-1-2-10-23/h5-8,14H,1-4,9-13H2,(H,19,21)/t14-/m0/s1
InChIKeyCPLCRNAZYDNFKI-AWEZNQCLSA-N
MW340.43 g/mol
LogP1.89
Rot. Bonds4

About 1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone

1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone (PubChem CID 124948806) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone
PubChem CID124948806
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccn[nH]1)N1CCC[C@@H](Cc2ccc(N3CCCC3)nn2)C1
InChIInChI=1S/C18H24N6O/c25-18(16-7-8-19-21-16)24-11-3-4-14(13-24)12-15-5-6-17(22-20-15)23-9-1-2-10-23/h5-8,14H,1-4,9-13H2,(H,19,21)/t14-/m0/s1
InChIKeyCPLCRNAZYDNFKI-AWEZNQCLSA-N
XLogP1.89
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110271601
1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 95846960
[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 124996183
1H-pyrazol-5-yl-[3-(quinolin-4-ylmethyl)piperidin-1-yl]methanone
CID 110098808
[(3S)-3-[(2-methoxyphenyl)methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95174843
[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110113329
3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]-6-pyrrolidin-1-ylpyridazine
CID 110271613
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160
1H-pyrazol-5-yl-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95399020
3-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine
CID 95847107
1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110255801
1-[6-[[(3R)-1-propan-2-ylpiperidin-3-yl]methyl]pyridazin-3-yl]piperidine-4-carboxamide
CID 95846984

Frequently Asked Questions

What is the IUPAC name of 1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of 1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone (CID 124948806) is 1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone is O=C(c1ccn[nH]1)N1CCC[C@@H](Cc2ccc(N3CCCC3)nn2)C1.
What is the InChIKey of 1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is CPLCRNAZYDNFKI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(16-7-8-19-21-16)24-11-3-4-14(13-24)12-15-5-6-17(22-20-15)23-9-1-2-10-23/h5-8,14H,1-4,9-13H2,(H,19,21)/t14-/m0/s1.
What are the key properties of 1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone?
1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazol-5-yl-[(3S)-3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124948806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).