1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine

C19H32N4 — CID 70780494

IUPAC1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine
SMILESCC(C1CCN(Cc2cnn(C)c2C2CC2)CC1)N1CCCC1
InChIInChI=1S/C19H32N4/c1-15(23-9-3-4-10-23)16-7-11-22(12-8-16)14-18-13-20-21(2)19(18)17-5-6-17/h13,15-17H,3-12,14H2,1-2H3
InChIKeyCYMFJKPEWRYRJW-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.99
Rot. Bonds5

About 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine

1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine (PubChem CID 70780494) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine
PubChem CID70780494
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC Name1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine
SMILESCC(C1CCN(Cc2cnn(C)c2C2CC2)CC1)N1CCCC1
InChIInChI=1S/C19H32N4/c1-15(23-9-3-4-10-23)16-7-11-22(12-8-16)14-18-13-20-21(2)19(18)17-5-6-17/h13,15-17H,3-12,14H2,1-2H3
InChIKeyCYMFJKPEWRYRJW-UHFFFAOYSA-N
XLogP2.99
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine?
The IUPAC name of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine (CID 70780494) is 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine.
What is the SMILES notation for 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine?
The canonical SMILES for 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine is CC(C1CCN(Cc2cnn(C)c2C2CC2)CC1)N1CCCC1.
What is the InChIKey of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine?
The InChIKey is CYMFJKPEWRYRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-15(23-9-3-4-10-23)16-7-11-22(12-8-16)14-18-13-20-21(2)19(18)17-5-6-17/h13,15-17H,3-12,14H2,1-2H3.
What are the key properties of 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine?
1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine has a molecular weight of 316.49 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-(1-pyrrolidin-1-ylethyl)piperidine is sourced from PubChem (CID 70780494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).