1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one

C14H24N4O — CID 72851912

IUPAC1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
SMILESCCC[C@H]1CN(C(=O)CCCc2cn[nH]c2)C[C@@H]1N
InChIInChI=1S/C14H24N4O/c1-2-4-12-9-18(10-13(12)15)14(19)6-3-5-11-7-16-17-8-11/h7-8,12-13H,2-6,9-10,15H2,1H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyYHFMNXKTAFUXTJ-STQMWFEESA-N
MW264.37 g/mol
LogP1.32
Rot. Bonds6

About 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one

1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one (PubChem CID 72851912) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one.

Molecular Properties

Compound Name1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
PubChem CID72851912
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
SMILESCCC[C@H]1CN(C(=O)CCCc2cn[nH]c2)C[C@@H]1N
InChIInChI=1S/C14H24N4O/c1-2-4-12-9-18(10-13(12)15)14(19)6-3-5-11-7-16-17-8-11/h7-8,12-13H,2-6,9-10,15H2,1H3,(H,16,17)/t12-,13-/m0/s1
InChIKeyYHFMNXKTAFUXTJ-STQMWFEESA-N
XLogP1.32
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The IUPAC name of 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one (CID 72851912) is 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one.
What is the SMILES notation for 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The canonical SMILES for 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one is CCC[C@H]1CN(C(=O)CCCc2cn[nH]c2)C[C@@H]1N.
What is the InChIKey of 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The InChIKey is YHFMNXKTAFUXTJ-STQMWFEESA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-4-12-9-18(10-13(12)15)14(19)6-3-5-11-7-16-17-8-11/h7-8,12-13H,2-6,9-10,15H2,1H3,(H,16,17)/t12-,13-/m0/s1.
What are the key properties of 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one is sourced from PubChem (CID 72851912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).